3-[[2-(4-methanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-(4-methanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[[2-(4-formyl-1-piperazinyl)-5-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]-oxomethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(4-formylpiperazino)-5-keto-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C16H17N7O7S MolecularWeight: 451.41388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)NC4CN(C4=O)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1C=O)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)NC4CN(C4=O)S(=O)(=O)O

InChI

InChI=1S/C16H17N7O7S/c24-8-21-1-3-22(4-2-21)16-18-5-9-12(25)10(6-17-13(9)20-16)14(26)19-11-7-23(15(11)27)31(28,29)30/h5-6,8,11H,1-4,7H2,(H,19,26)(H,28,29,30)(H,17,18,20,25)