2-[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-27(15-18-10-6-3-7-11-18)20-14-19(23)25-22(26-20)29-16-21(28)24-13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3,(H,24,28)