[(3S)-1-(2-chloranyl-7H-purin-6-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-1-(2-chloranyl-7H-purin-6-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-1-(2-chloro-7H-purin-6-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidyl]-[4-(2-pyridyl)piperazino]methanone Formula: C20H23ClN8O MolecularWeight: 426.90262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C20H23ClN8O/c21-20-25-17-16(23-13-24-17)18(26-20)29-7-3-4-14(12-29)19(30)28-10-8-27(9-11-28)15-5-1-2-6-22-15/h1-2,5-6,13-14H,3-4,7-12H2,(H,23,24,25,26)/t14-/m0/s1