N-ethyl-3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-methyl-benzamide

Systemtic Name: N-ethyl-3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-methyl-benzamide Openeye Name: N-ethyl-3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-methyl-benzamide CAS Name: N-ethyl-3-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-methylbenzamide IUPAC Name: N-ethyl-3-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-methylbenzamide Traditional Name: N-ethyl-3-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-methyl-benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N(C)CC)N3CCCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N(C)CC)N3CCCC3

InChI

InChI=1S/C21H28N4OS/c1-4-18-14-19(25-11-6-7-12-25)23-21(22-18)27-15-16-9-8-10-17(13-16)20(26)24(3)5-2/h8-10,13-14H,4-7,11-12,15H2,1-3H3