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

Systemtic Name: [(3S)-1-(2-chloranyl-7H-purin-6-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(3S)-1-(2-chloro-7H-purin-6-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidyl]-(4-phenylpiperazino)methanone Formula: C21H24ClN7O MolecularWeight: 425.91456

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN7O/c22-21-25-18-17(23-14-24-18)19(26-21)29-8-4-5-15(13-29)20(30)28-11-9-27(10-12-28)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,23,24,25,26)/t15-/m0/s1