2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C22H30ClN5O2S MolecularWeight: 464.0239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30ClN5O2S/c1-16(2)8-9-24-21(29)15-31-22-25-19(23)14-20(26-22)28-12-10-27(11-13-28)17-4-6-18(30-3)7-5-17/h4-7,14,16H,8-13,15H2,1-3H3,(H,24,29)