methyl (2E)-2-cyano-2-[4-[(4-methoxyphenyl)amino]-5H-pyrimido[5,4-d]pyrimidin-8-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-cyano-2-[4-[(4-methoxyphenyl)amino]-5H-pyrimido[5,4-d]pyrimidin-8-ylidene]ethanoate Openeye Name: methyl (2E)-2-cyano-2-[4-(4-methoxyanilino)-5H-pyrimido[5,4-d]pyrimidin-8-ylidene]acetate CAS Name: (2E)-2-cyano-2-[4-(4-methoxyanilino)-5H-pyrimido[5,4-d]pyrimidin-8-ylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-cyano-2-[4-(4-methoxyanilino)-5H-pyrimido[5,4-d]pyrimidin-8-ylidene]acetate Traditional Name: (2E)-2-cyano-2-[4-(p-anisidino)-5H-pyrimido[5,4-d]pyrimidin-8-ylidene]acetic acid methyl ester Formula: C17H14N6O3 MolecularWeight: 350.33146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=NC3=C2NC=NC3=C(C#N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=NC\3=C2NC=N/C3=C(\C#N)/C(=O)OC

InChI

InChI=1S/C17H14N6O3/c1-25-11-5-3-10(4-6-11)23-16-15-14(20-9-22-16)13(19-8-21-15)12(7-18)17(24)26-2/h3-6,8-9H,1-2H3,(H,19,21)(H,20,22,23)/b13-12+