2,4-Quinazolinediamine, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-, acetate, hydrate (1:1:1)

CAS Registry Number®

117381-09-6

CAS Name

2,4-Quinazolinediamine, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-, acetate, hydrate (1:1:1)

Molecular Formula

C19H23N5O3.C2H4O2.H2O

Cite this Page

2,4-Quinazolinediamine, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-, acetate, hydrate (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117381-09-6 (retrieved 2024-12-27) (CAS RN: 117381-09-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H23N5O3.C2H4O2.H2O/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-2(3)4;/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1H3,(H,3,4);1H2

InChIKey

InChIKey=NVDQULLLJIPDRP-UHFFFAOYSA-N

SMILES

CC=1C2=C(C=CC1CNC3=CC(OC)=C(OC)C(OC)=C3)N=C(N)N=C2N.C(C)(O)=O.O

Canonical SMILES

O=C(O)C.O.N=1C(=NC2=CC=C(C(=C2C1N)C)CNC3=CC(OC)=C(OC)C(OC)=C3)N

Other Names for this Substance

  • 2,4-Quinazolinediamine, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-, acetate, hydrate (1:1:1)
  • 2,4-Quinazolinediamine, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-, monoacetate, monohydrate

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