1-methyl-3-(3-methylbutyl)-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(3-methylbutyl)-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-isopentyl-1-methyl-9-(m-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-(3-methylbutyl)-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(3-methylbutyl)-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-isoamyl-1-methyl-9-(m-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C

InChI

InChI=1S/C21H27N5O2/c1-14(2)9-12-26-19(27)17-18(23(4)21(26)28)22-20-24(10-6-11-25(17)20)16-8-5-7-15(3)13-16/h5,7-8,13-14H,6,9-12H2,1-4H3