S-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl] 4-chloranylbenzenecarbothioate

Systemtic Name: S-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl] 4-chloranylbenzenecarbothioate Openeye Name: S-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl] 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl] ester IUPAC Name: S-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl] 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl] ester Formula: C17H19ClN4OS MolecularWeight: 362.87696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)C

InChI

InChI=1S/C17H19ClN4OS/c1-12-11-15(22-9-7-21(2)8-10-22)20-17(19-12)24-16(23)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3