trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid

CAS Registry Number®

701232-20-4

CAS Name

trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid

Molecular Formula

C22H26N4O3

Molecular Mass

394.47

Cite this Page

trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=701232-20-4 (retrieved 2024-11-23) (CAS RN: 701232-20-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >270 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-

InChIKey

InChIKey=FUIYMYNYUHVDPT-HDJSIYSDNA-N

SMILES

CC1(C)C(=NC=2C(O1)=NC=NC2N)C3=CC=C(C=C3)[C@@H]4CC[C@@H](CC(O)=O)CC4

Canonical SMILES

O=C(O)CC1CCC(C=2C=CC(=CC2)C3=NC=4C(=NC=NC4N)OC3(C)C)CC1

Other Names for this Substance

  • Cyclohexaneacetic acid, 4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]-, trans-
  • trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid
  • T 863

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