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

Systemtic Name: 1,7-dimethyl-3-pentyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1,7-dimethyl-3-pentyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-9-benzyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3CC4=CC=CC=C4)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3CC4=CC=CC=C4)C)N(C1=O)C

InChI

InChI=1S/C22H29N5O2/c1-4-5-9-12-26-20(28)18-19(24(3)22(26)29)23-21-25(13-16(2)14-27(18)21)15-17-10-7-6-8-11-17/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3