6-cyclohexyl-1-(3-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 6-cyclohexyl-1-(3-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-cyclohexyl-1-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-cyclohexyl-1-(3-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-cyclohexyl-1-(3-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-cyclohexyl-1-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C[NH+](CN3)C4CCCCC4)C(=O)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C[NH+](CN3)C4CCCCC4)C(=O)NC2=O

InChI

InChI=1S/C19H24N4O2/c1-13-6-5-9-15(10-13)23-17-16(18(24)21-19(23)25)11-22(12-20-17)14-7-3-2-4-8-14/h5-6,9-10,14,20H,2-4,7-8,11-12H2,1H3,(H,21,24,25)/p+1