4-[6-chloranyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(diethylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-(3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(diethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(diethylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-N-(m-tolyl)piperazine-1-carboxamide Formula: C23H31ClN6O2S MolecularWeight: 491.04924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C23H31ClN6O2S/c1-5-28(6-2)21(31)15-33-22-26-19(24)13-20(27-22)29-10-11-30(17(4)14-29)23(32)25-18-9-7-8-16(3)12-18/h7-9,12-13,17H,5-6,10-11,14-15H2,1-4H3,(H,25,32)