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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propan-1-one CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-3-[(2-chloro-7H-purin-6-yl)thio]-1-propanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propan-1-one Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-3-[(2-chloro-7H-purin-6-yl)thio]propan-1-one Formula: C18H18Cl2N6OS MolecularWeight: 437.34612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N6OS/c19-12-2-1-3-13(10-12)25-5-7-26(8-6-25)14(27)4-9-28-17-15-16(22-11-21-15)23-18(20)24-17/h1-3,10-11H,4-9H2,(H,21,22,23,24)