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

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-isobutyl-acetamide CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-isobutyl-acetamide Formula: C21H30ClN5OS MolecularWeight: 436.0138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC(=CC(=N1)Cl)N(CCN(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC(=CC(=N1)Cl)N(CCN(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H30ClN5OS/c1-16(2)13-23-20(28)15-29-21-24-18(22)12-19(25-21)27(11-10-26(3)4)14-17-8-6-5-7-9-17/h5-9,12,16H,10-11,13-15H2,1-4H3,(H,23,28)