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

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-ethoxy-acetamide CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-ethoxyacetamide IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-ethoxyacetamide Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-ethoxy-acetamide Formula: C19H26ClN5O2S MolecularWeight: 423.96004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN5O2S/c1-4-27-23-18(26)14-28-19-21-16(20)12-17(22-19)25(11-10-24(2)3)13-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,23,26)