4-[1,3-dimethyl-2,4-bis(oxidanylidene)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-6-yl]butanoate

Systemtic Name: 4-[1,3-dimethyl-2,4-bis(oxidanylidene)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-6-yl]butanoate Openeye Name: 4-(1,3-dimethyl-2,4-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-6-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,4-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-6-yl)butanoate IUPAC Name: 4-(1,3-dimethyl-2,4-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-6-yl)butanoate Traditional Name: 4-(2,4-diketo-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-6-yl)butyrate Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C[NH+](CN2)CCCC(=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C[NH+](CN2)CCCC(=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C12H18N4O4/c1-14-10-8(11(19)15(2)12(14)20)6-16(7-13-10)5-3-4-9(17)18/h13H,3-7H2,1-2H3,(H,17,18)