3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C18H19ClN6OS MolecularWeight: 402.90106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H19ClN6OS/c19-18-22-16-15(20-12-21-16)17(23-18)27-11-6-14(26)25-9-7-24(8-10-25)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,20,21,22,23)