N-(2-dimethylaminoethyl)-3-[[4-(2-methylpiperidin-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-[[4-(2-methylpiperidin-1-yl)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-[[4-isopropyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-dimethylaminoethyl)-3-[[[4-(2-methyl-1-piperidinyl)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-[[4-(2-methylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-[[[4-isopropyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C25H37N5OS MolecularWeight: 455.65918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC(=NC(=C2)C(C)C)SCC3=CC=CC(=C3)C(=O)NCCN(C)C

Isomeric SMILES

CC1CCCCN1C2=NC(=NC(=C2)C(C)C)SCC3=CC=CC(=C3)C(=O)NCCN(C)C

InChI

InChI=1S/C25H37N5OS/c1-18(2)22-16-23(30-13-7-6-9-19(30)3)28-25(27-22)32-17-20-10-8-11-21(15-20)24(31)26-12-14-29(4)5/h8,10-11,15-16,18-19H,6-7,9,12-14,17H2,1-5H3,(H,26,31)