2-[[4-[[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C20H20N6O6 MolecularWeight: 440.4094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)