ethyl 4-[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)methylsulfanyl]benzoate

Systemtic Name: ethyl 4-[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)methylsulfanyl]benzoate Openeye Name: ethyl 4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylthio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)methylthio]benzoic acid ethyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SCC2=CN=C3C(=C2)C(=O)N=C(N3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SCC2=CN=C3C(=C2)C(=O)N=C(N3)N

InChI

InChI=1S/C17H16N4O3S/c1-2-24-16(23)11-3-5-12(6-4-11)25-9-10-7-13-14(19-8-10)20-17(18)21-15(13)22/h3-8H,2,9H2,1H3,(H3,18,19,20,21,22)