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

Systemtic Name: methyl 3-[4-(cyclopropylmethylamino)-2-phenylazanyl-pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoate Openeye Name: methyl 3-[2-anilino-4-(cyclopropylmethylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoate CAS Name: 3-[2-anilino-4-(cyclopropylmethylamino)-5-pyrimidinyl]-2-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[2-anilino-4-(cyclopropylmethylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoate Traditional Name: 3-[2-anilino-4-(cyclopropylmethylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propionic acid methyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CN=C(N=C2NCC3CC3)NC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CN=C(N=C2NCC3CC3)NC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H28N4O3/c1-31-21-12-10-18(11-13-21)22(24(30)32-2)14-19-16-27-25(28-20-6-4-3-5-7-20)29-23(19)26-15-17-8-9-17/h3-7,10-13,16-17,22H,8-9,14-15H2,1-2H3,(H2,26,27,28,29)