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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC(=NC4=C3N=C[N-]4)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC(=NC4=C3N=C[N-]4)Cl

InChI

InChI=1S/C19H20ClN6OS/c1-13(28-17-15-16(22-12-21-15)23-19(20)24-17)18(27)26-9-7-25(8-10-26)11-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3/q-1/t13-/m1/s1