2-[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)acetamide Formula: C20H26ClN5OS MolecularWeight: 419.97134

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCC3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCC3)Cl

InChI

InChI=1S/C20H26ClN5OS/c1-25(14-16-7-3-2-4-8-16)18-13-17(21)23-20(24-18)28-15-19(27)22-9-12-26-10-5-6-11-26/h2-4,7-8,13H,5-6,9-12,14-15H2,1H3,(H,22,27)