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

Systemtic Name: 1-(3-methylphenyl)-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-isopropyl-1-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-(3-methylphenyl)-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-(3-methylphenyl)-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-isopropyl-1-(m-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:

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

Isomeric SMILES

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

InChI

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