2-[[4-[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfanylmethyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfanylmethyl]phenyl]carbonylamino]pentanedioate Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfanylmethyl]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)thio]methyl]phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfanylmethyl]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[[(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)thio]methyl]benzoyl]amino]glutarate Formula: C20H17N5O6S-2 MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c21-20-24-16-13(18(29)25-20)7-12(8-22-16)32-9-10-1-3-11(4-2-10)17(28)23-14(19(30)31)5-6-15(26)27/h1-4,7-8,14H,5-6,9H2,(H,23,28)(H,26,27)(H,30,31)(H3,21,22,24,25,29)/p-2