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

Systemtic Name: methyl 3-[2,4-bis(phenylazanyl)pyrimidin-5-yl]-2-(3,5-dimethoxyphenyl)propanoate Openeye Name: methyl 3-(2,4-dianilinopyrimidin-5-yl)-2-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(2,4-dianilino-5-pyrimidinyl)-2-(3,5-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2,4-dianilinopyrimidin-5-yl)-2-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(2,4-dianilinopyrimidin-5-yl)-2-(3,5-dimethoxyphenyl)propionic acid methyl ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O4/c1-34-23-14-19(15-24(17-23)35-2)25(27(33)36-3)16-20-18-29-28(31-22-12-8-5-9-13-22)32-26(20)30-21-10-6-4-7-11-21/h4-15,17-18,25H,16H2,1-3H3,(H2,29,30,31,32)