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

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

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H19ClN6OS/c1-12(27-16-14-15(21-11-20-14)22-18(19)23-16)17(26)25-9-7-24(8-10-25)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21,22,23)/t12-/m1/s1