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

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[4-(7H-purin-6-ylsulfanylmethyl)phenyl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[4-(7H-purin-6-ylsulfanylmethyl)phenyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[4-[(7H-purin-6-ylthio)methyl]phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[4-(7H-purin-6-ylsulfanylmethyl)phenyl]methanone Traditional Name: (4-benzhydrylpiperazino)-[4-[(7H-purin-6-ylthio)methyl]phenyl]methanone Formula: C30H28N6OS MolecularWeight: 520.64792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CSC5=NC=NC6=C5NC=N6

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CSC5=NC=NC6=C5NC=N6

InChI

InChI=1S/C30H28N6OS/c37-30(25-13-11-22(12-14-25)19-38-29-26-28(32-20-31-26)33-21-34-29)36-17-15-35(16-18-36)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,20-21,27H,15-19H2,(H,31,32,33,34)