[1-(7H-purin-6-yl)piperidin-4-yl]-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(7H-purin-6-yl)piperidin-4-yl]-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone Openeye Name: [1-(7H-purin-6-yl)-4-piperidyl]-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]methanone CAS Name: [1-(7H-purin-6-yl)-4-piperidinyl]-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [1-(7H-purin-6-yl)piperidin-4-yl]-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone Traditional Name: [1-(7H-purin-6-yl)-4-piperidyl]-[4-[2-(2-pyridyl)ethyl]piperazino]methanone Formula: C22H28N8O MolecularWeight: 420.51072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CCC3=CC=CC=N3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CCC3=CC=CC=N3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H28N8O/c31-22(30-13-11-28(12-14-30)8-6-18-3-1-2-7-23-18)17-4-9-29(10-5-17)21-19-20(25-15-24-19)26-16-27-21/h1-3,7,15-17H,4-6,8-14H2,(H,24,25,26,27)