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

Systemtic Name: 1-(3-methylphenyl)-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-(m-tolyl)-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-(3-methylphenyl)-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-(3-methylphenyl)-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-(m-tolyl)-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C[NH+](CN3)CCC4=CC=CC=C4)C(=O)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C[NH+](CN3)CCC4=CC=CC=C4)C(=O)NC2=O

InChI

InChI=1S/C21H22N4O2/c1-15-6-5-9-17(12-15)25-19-18(20(26)23-21(25)27)13-24(14-22-19)11-10-16-7-3-2-4-8-16/h2-9,12,22H,10-11,13-14H2,1H3,(H,23,26,27)/p+1