4-(3-methylphenyl)-6-phenethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: 4-(3-methylphenyl)-6-phenethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 4-(m-tolyl)-6-phenethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 4-(3-methylphenyl)-6-phenethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 4-(3-methylphenyl)-6-phenethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 4-(m-tolyl)-6-phenethyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3=C(CN(C3=O)CCC4=CC=CC=C4)NC(=O)N2

Isomeric SMILES

CC1=CC=CC(=C1)C2C3=C(CN(C3=O)CCC4=CC=CC=C4)NC(=O)N2

InChI

InChI=1S/C21H21N3O2/c1-14-6-5-9-16(12-14)19-18-17(22-21(26)23-19)13-24(20(18)25)11-10-15-7-3-2-4-8-15/h2-9,12,19H,10-11,13H2,1H3,(H2,22,23,26)