1,3-dimethyl-7-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]purine-2,6-dione Traditional Name: 7-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C17H17N6O3+ MolecularWeight: 353.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H16N6O3/c1-10-4-5-12-19-11(6-13(24)23(12)7-10)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2/h4-7,9H,8H2,1-3H3/p+1