1-(4-methylphenyl)-6-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 1-(4-methylphenyl)-6-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-propyl-1-(p-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-(4-methylphenyl)-6-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-(4-methylphenyl)-6-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-propyl-1-(p-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC2=C(NC1)N(C(=O)NC2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC[NH+]1CC2=C(NC1)N(C(=O)NC2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H20N4O2/c1-3-8-19-9-13-14(17-10-19)20(16(22)18-15(13)21)12-6-4-11(2)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,18,21,22)/p+1