methyl 3-[2,4-bis(phenylazanyl)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoate

Systemtic Name: methyl 3-[2,4-bis(phenylazanyl)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoate Openeye Name: methyl 3-(2,4-dianilinopyrimidin-5-yl)-2-(4-methoxyphenyl)propanoate CAS Name: 3-(2,4-dianilino-5-pyrimidinyl)-2-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2,4-dianilinopyrimidin-5-yl)-2-(4-methoxyphenyl)propanoate Traditional Name: 3-(2,4-dianilinopyrimidin-5-yl)-2-(4-methoxyphenyl)propionic acid methyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CN=C(N=C2NC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CN=C(N=C2NC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H26N4O3/c1-33-23-15-13-19(14-16-23)24(26(32)34-2)17-20-18-28-27(30-22-11-7-4-8-12-22)31-25(20)29-21-9-5-3-6-10-21/h3-16,18,24H,17H2,1-2H3,(H2,28,29,30,31)