2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C22H32ClN5OS MolecularWeight: 450.04038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32ClN5OS/c1-17(2)10-11-24-21(29)16-30-22-25-19(23)14-20(26-22)28(13-12-27(3)4)15-18-8-6-5-7-9-18/h5-9,14,17H,10-13,15-16H2,1-4H3,(H,24,29)