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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=NC(=NC=C2C1=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)N1CC2=NC(=NC=C2C1=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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