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

Systemtic Name: 2-[[4-[[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)-methyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)-methyl-amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)-methylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)-methylamino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)-methyl-amino]methyl]benzoyl]amino]glutaric acid Formula: C21H22N6O6 MolecularWeight: 454.43598

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CN=C3C(=C2)C(=O)N=C(N3)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CN=C3C(=C2)C(=O)N=C(N3)N

InChI

InChI=1S/C21H22N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,8-9,15H,6-7,10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,22,23,25,26,31)