2-[4-chloranyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-cinnamylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-cinnamylpiperazino)pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)acetamide Formula: C25H33ClN6OS MolecularWeight: 501.08712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

InChI

InChI=1S/C25H33ClN6OS/c26-22-19-23(29-25(28-22)34-20-24(33)27-10-14-30-11-4-5-12-30)32-17-15-31(16-18-32)13-6-9-21-7-2-1-3-8-21/h1-3,6-9,19H,4-5,10-18,20H2,(H,27,33)