2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: N-benzyl-2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C25H33ClN6O2S MolecularWeight: 517.08652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C25H33ClN6O2S/c1-29(2)10-11-32(17-19-6-4-3-5-7-19)23(33)18-35-25-27-21(26)16-22(28-25)30-12-14-31(15-13-30)24(34)20-8-9-20/h3-7,16,20H,8-15,17-18H2,1-2H3