3-(2-chloranylpurin-9-id-6-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2-chloranylpurin-9-id-6-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(2-chloropurin-9-id-6-yl)sulfanyl-propan-1-one CAS Name: 3-[(2-chloro-6-purin-9-idyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(2-chloropurin-9-id-6-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(2-chloropurin-9-id-6-yl)thio]propan-1-one Formula: C19H20ClN6OS- MolecularWeight: 415.9197

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCSC3=NC(=NC4=C3N=C[N-]4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCSC3=NC(=NC4=C3N=C[N-]4)Cl

InChI

InChI=1S/C19H20ClN6OS/c20-19-23-17-16(21-13-22-17)18(24-19)28-11-6-15(27)26-9-7-25(8-10-26)12-14-4-2-1-3-5-14/h1-5,13H,6-12H2/q-1