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

Systemtic Name: N-cyclopropyl-3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-3-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-3-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-3-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCCC4

InChI

InChI=1S/C21H26N4OS/c1-2-17-13-19(25-10-3-4-11-25)24-21(23-17)27-14-15-6-5-7-16(12-15)20(26)22-18-8-9-18/h5-7,12-13,18H,2-4,8-11,14H2,1H3,(H,22,26)