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

Systemtic Name: methyl 2-(4-methoxyphenyl)-3-[4-(2-methylpropylamino)-2-phenylazanyl-pyrimidin-5-yl]propanoate Openeye Name: methyl 3-[2-anilino-4-(isobutylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoate CAS Name: 3-[2-anilino-4-(2-methylpropylamino)-5-pyrimidinyl]-2-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[2-anilino-4-(2-methylpropylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoate Traditional Name: 3-[2-anilino-4-(isobutylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propionic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1CC(C2=CC=C(C=C2)OC)C(=O)OC)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1CC(C2=CC=C(C=C2)OC)C(=O)OC)NC3=CC=CC=C3

InChI

InChI=1S/C25H30N4O3/c1-17(2)15-26-23-19(16-27-25(29-23)28-20-8-6-5-7-9-20)14-22(24(30)32-4)18-10-12-21(31-3)13-11-18/h5-13,16-17,22H,14-15H2,1-4H3,(H2,26,27,28,29)