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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylthio]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)methylthio]benzoic acid Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC2=CN=C3C(=C2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC2=CN=C3C(=C2)C(=O)N=C(N3)N

InChI

InChI=1S/C15H12N4O3S/c16-15-18-12-11(13(20)19-15)5-8(6-17-12)7-23-10-3-1-9(2-4-10)14(21)22/h1-6H,7H2,(H,21,22)(H3,16,17,18,19,20)