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

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

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

Isomeric SMILES

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

InChI

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