1,7-dimethyl-3-pentyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1,7-dimethyl-3-pentyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1,7-dimethyl-3-pentyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1,7-dimethyl-3-pentyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1,7-dimethyl-3-pentyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H31N5O2 MolecularWeight: 409.52454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3CCC4=CC=CC=C4)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3CCC4=CC=CC=C4)C)N(C1=O)C

InChI

InChI=1S/C23H31N5O2/c1-4-5-9-13-27-21(29)19-20(25(3)23(27)30)24-22-26(15-17(2)16-28(19)22)14-12-18-10-7-6-8-11-18/h6-8,10-11,17H,4-5,9,12-16H2,1-3H3