6-butyl-2-[4-(phenylmethyl)piperazin-1-yl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

Systemtic Name: 6-butyl-2-[4-(phenylmethyl)piperazin-1-yl]-7H-pyrrolo[3,4-d]pyrimidin-5-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-butyl-7H-pyrrolo[3,4-d]pyrimidin-5-one CAS Name: 6-butyl-2-[4-(phenylmethyl)-1-piperazinyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-butyl-7H-pyrrolo[3,4-d]pyrimidin-5-one Traditional Name: 2-(4-benzylpiperazino)-6-butyl-7H-pyrrolo[3,4-d]pyrimidin-5-one Formula: C21H27N5O MolecularWeight: 365.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=NC(=NC=C2C1=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1CC2=NC(=NC=C2C1=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c1-2-3-9-26-16-19-18(20(26)27)14-22-21(23-19)25-12-10-24(11-13-25)15-17-7-5-4-6-8-17/h4-8,14H,2-3,9-13,15-16H2,1H3