1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-4-(1H-1,2,4-triazol-1-yl)-2(1H)-pyrimidinone

CAS Registry Number®

109389-31-3
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CAS Name

1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-4-(1H-1,2,4-triazol-1-yl)-2(1H)-pyrimidinone

Molecular Formula

C41H48N7O7P

Molecular Mass

781.84

Cite this Page

1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-4-(1H-1,2,4-triazol-1-yl)-2(1H)-pyrimidinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=109389-31-3 (retrieved 2024-09-09) (CAS RN: 109389-31-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H48N7O7P/c1-29(2)48(30(3)4)56(53-24-10-22-42)55-36-25-39(46-23-21-38(45-40(46)49)47-28-43-27-44-47)54-37(36)26-52-41(31-11-8-7-9-12-31,32-13-17-34(50-5)18-14-32)33-15-19-35(51-6)20-16-33/h7-9,11-21,23,27-30,36-37,39H,10,24-26H2,1-6H3/t36-,37+,39+,56?/m0/s1

InChIKey

InChIKey=XJDRGFBBHNKJLG-SBOMZNRISA-N

SMILES

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)C[C@@H](O1)N2C(=O)N=C(C=C2)N3C=NC=N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6

Canonical SMILES

N#CCCOP(OC1CC(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(=NC5=O)N6N=CN=C6)N(C(C)C)C(C)C

Other Names for this Substance

  • 2(1H)-Pyrimidinone, 1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-4-(1H-1,2,4-triazol-1-yl)-
  • 1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-4-(1H-1,2,4-triazol-1-yl)-2(1H)-pyrimidinone