2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C17H19N7OS MolecularWeight: 369.44406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C17H19N7OS/c18-15-14-16(20-11-19-15)22-17(21-14)26-10-13(25)24-8-6-23(7-9-24)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H3,18,19,20,21,22)