S-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate

Systemtic Name: S-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Openeye Name: S-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl] 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbothioic 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] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioic acid S-[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl] ester Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)N4CCN(CC4)C

InChI

InChI=1S/C21H22ClN5O2S/c1-13-12-17(27-10-8-26(3)9-11-27)24-21(23-13)30-20(28)18-14(2)29-25-19(18)15-6-4-5-7-16(15)22/h4-7,12H,8-11H2,1-3H3