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

Systemtic Name: (4-phenylpiperazin-1-yl)-[4-(7H-purin-6-ylsulfanylmethyl)phenyl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[4-(7H-purin-6-ylsulfanylmethyl)phenyl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[4-[(7H-purin-6-ylthio)methyl]phenyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[4-(7H-purin-6-ylsulfanylmethyl)phenyl]methanone Traditional Name: (4-phenylpiperazino)-[4-[(7H-purin-6-ylthio)methyl]phenyl]methanone Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H22N6OS/c30-23(29-12-10-28(11-13-29)19-4-2-1-3-5-19)18-8-6-17(7-9-18)14-31-22-20-21(25-15-24-20)26-16-27-22/h1-9,15-16H,10-14H2,(H,24,25,26,27)