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

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C20H28ClN5OS MolecularWeight: 421.98722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN5OS/c1-4-10-22-19(27)15-28-20-23-17(21)13-18(24-20)26(12-11-25(2)3)14-16-8-6-5-7-9-16/h5-9,13H,4,10-12,14-15H2,1-3H3,(H,22,27)