2-[[4-[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)-methyl-amino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)-methyl-amino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)-methyl-amino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)-methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-5-oxopentanoate IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)-methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)-methyl-amino]benzoyl]amino]-5-hydroxy-5-keto-valerate Formula: C20H19N6O6- MolecularWeight: 439.40146

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=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(C1=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/C20H20N6O6/c1-26(12-8-13-16(22-9-12)24-20(21)25-18(13)30)11-4-2-10(3-5-11)17(29)23-14(19(31)32)6-7-15(27)28/h2-5,8-9,14H,6-7H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H3,21,22,24,25,30)/p-1