4-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide

Systemtic Name: 4-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Openeye Name: 4-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide CAS Name: 4-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide IUPAC Name: 4-[[4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Traditional Name: 4-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide Formula: C25H37N5OS MolecularWeight: 455.65918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCN(C)C)N(C)C3CCCCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCN(C)C)N(C)C3CCCCC3

InChI

InChI=1S/C25H37N5OS/c1-5-21-17-23(30(4)22-9-7-6-8-10-22)28-25(27-21)32-18-19-11-13-20(14-12-19)24(31)26-15-16-29(2)3/h11-14,17,22H,5-10,15-16,18H2,1-4H3,(H,26,31)