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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN5OS/c1-4-5-11-23-20(28)16-29-21-24-18(22)14-19(25-21)27(13-12-26(2)3)15-17-9-7-6-8-10-17/h6-10,14H,4-5,11-13,15-16H2,1-3H3,(H,23,28)