3-butyl-1,7-dimethyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 3-butyl-1,7-dimethyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-3-butyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-butyl-1,7-dimethyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-3-butyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-3-butyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2CC(CN3CC4=CC=CC=C4)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2CC(CN3CC4=CC=CC=C4)C)N(C1=O)C

InChI

InChI=1S/C21H27N5O2/c1-4-5-11-25-19(27)17-18(23(3)21(25)28)22-20-24(12-15(2)13-26(17)20)14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3