[4-(phenylmethyl)piperazin-1-yl]-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[(3S)-1-(7H-purin-6-yl)-3-piperidyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[(3S)-1-(7H-purin-6-yl)-3-piperidinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[(3S)-1-(7H-purin-6-yl)-3-piperidyl]methanone Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2NC=N3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=NC3=C2NC=N3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C22H27N7O/c30-22(28-11-9-27(10-12-28)13-17-5-2-1-3-6-17)18-7-4-8-29(14-18)21-19-20(24-15-23-19)25-16-26-21/h1-3,5-6,15-16,18H,4,7-14H2,(H,23,24,25,26)/t18-/m0/s1