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

Systemtic Name: 4-[3-(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoate Openeye Name: 4-[3-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoate CAS Name: 4-[3-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoate IUPAC Name: 4-[3-(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoate Traditional Name: 4-[3-(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)propyl]benzoate Formula: C17H15N4O3- MolecularWeight: 323.326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCCC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)[O-]

InChI

InChI=1S/C17H16N4O3/c18-17-20-14-13(15(22)21-17)8-11(9-19-14)3-1-2-10-4-6-12(7-5-10)16(23)24/h4-9H,1-3H2,(H,23,24)(H3,18,19,20,21,22)/p-1