[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-1-piperazinyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]piperazino]-(4-methoxyphenyl)methanone Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H19ClN4O3S/c1-26-13-5-3-12(4-6-13)16(24)22-7-9-23(10-8-22)17(25)15-14(19)11-20-18(21-15)27-2/h3-6,11H,7-10H2,1-2H3