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

Systemtic Name: 6-cyclopentyl-1-(2-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-cyclopentyl-1-(o-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-cyclopentyl-1-(2-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-cyclopentyl-1-(2-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-cyclopentyl-1-(o-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C[NH+](CN3)C4CCCC4)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C[NH+](CN3)C4CCCC4)C(=O)NC2=O

InChI

InChI=1S/C18H22N4O2/c1-12-6-2-5-9-15(12)22-16-14(17(23)20-18(22)24)10-21(11-19-16)13-7-3-4-8-13/h2,5-6,9,13,19H,3-4,7-8,10-11H2,1H3,(H,20,23,24)/p+1