2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-propionyl-piperazino)pyrimidin-2-yl]thio]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide Formula: C23H28ClN7O2S MolecularWeight: 502.03212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(CCC#N)CC3=CN=CC=C3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(CCC#N)CC3=CN=CC=C3)Cl

InChI

InChI=1S/C23H28ClN7O2S/c1-3-21(32)31-11-10-29(14-17(31)2)20-12-19(24)27-23(28-20)34-16-22(33)30(9-5-7-25)15-18-6-4-8-26-13-18/h4,6,8,12-13,17H,3,5,9-11,14-16H2,1-2H3