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

Systemtic Name: 1-methyl-9-(4-methylphenyl)-7-oxidanyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 7-hydroxy-1-methyl-3-pentyl-9-(p-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 7-hydroxy-1-methyl-9-(4-methylphenyl)-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 7-hydroxy-1-methyl-9-(4-methylphenyl)-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-7-hydroxy-1-methyl-9-(p-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)C)O)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)C)O)N(C1=O)C

InChI

InChI=1S/C21H27N5O3/c1-4-5-6-11-24-19(28)17-18(23(3)21(24)29)22-20-25(12-16(27)13-26(17)20)15-9-7-14(2)8-10-15/h7-10,16,27H,4-6,11-13H2,1-3H3