2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C21H26ClN5O2S/c1-29-17-6-4-16(5-7-17)25-10-12-27(13-11-25)20(28)15-30-21-23-18(22)14-19(24-21)26-8-2-3-9-26/h4-7,14H,2-3,8-13,15H2,1H3