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

Systemtic Name: 1-methyl-3-pentyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-pentyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-9-benzyl-1-methyl-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=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C21H27N5O2/c1-3-4-8-13-26-19(27)17-18(23(2)21(26)28)22-20-24(12-9-14-25(17)20)15-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3