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

Systemtic Name: N-(2-dimethylaminoethyl)-3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-dimethylaminoethyl)-3-[[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-[[[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H32N6OS MolecularWeight: 428.59408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN(C)C)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN(C)C)N3CCN(CC3)C

InChI

InChI=1S/C22H32N6OS/c1-17-14-20(28-12-10-27(4)11-13-28)25-22(24-17)30-16-18-6-5-7-19(15-18)21(29)23-8-9-26(2)3/h5-7,14-15H,8-13,16H2,1-4H3,(H,23,29)