[4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-[[4-ethyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[[[4-ethyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[[[4-ethyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C25H35N5OS MolecularWeight: 453.6433

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)N4CCCCC4C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)N4CCCCC4C

InChI

InChI=1S/C25H35N5OS/c1-4-22-17-23(30-12-6-5-7-19(30)2)27-25(26-22)32-18-20-8-10-21(11-9-20)24(31)29-15-13-28(3)14-16-29/h8-11,17,19H,4-7,12-16,18H2,1-3H3