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

Systemtic Name: (4-phenylpiperazin-1-yl)-[1-(7H-purin-6-yl)piperidin-4-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[1-(7H-purin-6-yl)-4-piperidyl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[1-(7H-purin-6-yl)-4-piperidinyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[1-(7H-purin-6-yl)piperidin-4-yl]methanone Traditional Name: (4-phenylpiperazino)-[1-(7H-purin-6-yl)-4-piperidyl]methanone Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O/c29-21(28-12-10-26(11-13-28)17-4-2-1-3-5-17)16-6-8-27(9-7-16)20-18-19(23-14-22-18)24-15-25-20/h1-5,14-16H,6-13H2,(H,22,23,24,25)