3-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide

Systemtic Name: 3-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Openeye Name: 3-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide CAS Name: 3-[[[4-(diethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide IUPAC Name: 3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Traditional Name: 3-[[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide Formula: C21H31N5OS MolecularWeight: 401.56874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=CC(=C2)C(=O)NCCN(C)C

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=CC(=C2)C(=O)NCCN(C)C

InChI

InChI=1S/C21H31N5OS/c1-6-26(7-2)19-13-16(3)23-21(24-19)28-15-17-9-8-10-18(14-17)20(27)22-11-12-25(4)5/h8-10,13-14H,6-7,11-12,15H2,1-5H3,(H,22,27)