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

Systemtic Name: 1-methyl-3-octyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-octyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C24H33N5O2/c1-3-4-5-6-7-11-16-29-22(30)20-21(26(2)24(29)31)25-23-27(15-12-17-28(20)23)18-19-13-9-8-10-14-19/h8-10,13-14H,3-7,11-12,15-18H2,1-2H3