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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CC2=CN=C(N=C2NC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C(CC2=CN=C(N=C2NC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)OC

InChI

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