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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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