[4-(phenylmethyl)piperazin-1-yl]-[1-(7H-purin-6-yl)piperidin-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[1-(7H-purin-6-yl)piperidin-4-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(7H-purin-6-yl)-4-piperidyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[1-(7H-purin-6-yl)-4-piperidinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-(7H-purin-6-yl)piperidin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(7H-purin-6-yl)-4-piperidyl]methanone Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H27N7O/c30-22(29-12-10-27(11-13-29)14-17-4-2-1-3-5-17)18-6-8-28(9-7-18)21-19-20(24-15-23-19)25-16-26-21/h1-5,15-16,18H,6-14H2,(H,23,24,25,26)