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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-1-[4-(2-methoxyphenyl)piperazino]propan-1-one Formula: C19H21ClN6O2S MolecularWeight: 432.92704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C19H21ClN6O2S/c1-28-14-5-3-2-4-13(14)25-7-9-26(10-8-25)15(27)6-11-29-18-16-17(22-12-21-16)23-19(20)24-18/h2-5,12H,6-11H2,1H3,(H,21,22,23,24)