9-(2-methoxy-5-methyl-phenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(2-methoxy-5-methyl-phenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(2-methoxy-5-methyl-phenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2-methoxy-5-methylphenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(2-methoxy-5-methylphenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(2-methoxy-5-methyl-phenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C3N2CC(CN3C4=C(C=CC(=C4)C)OC)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C3N2CC(CN3C4=C(C=CC(=C4)C)OC)C)N(C1=O)C

InChI

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