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

Systemtic Name: N-(2-dimethylaminoethyl)-3-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-dimethylaminoethyl)-3-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C23H34N6OS MolecularWeight: 442.62066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN(C)C)N3CCN(CC3)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN(C)C)N3CCN(CC3)C

InChI

InChI=1S/C23H34N6OS/c1-5-20-16-21(29-13-11-28(4)12-14-29)26-23(25-20)31-17-18-7-6-8-19(15-18)22(30)24-9-10-27(2)3/h6-8,15-16H,5,9-14,17H2,1-4H3,(H,24,30)