[3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone

Systemtic Name: [3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [3-[[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [3-[[[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]-morpholino-methanone Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N4CCN(CC4)C

InChI

InChI=1S/C22H29N5O2S/c1-17-14-20(26-8-6-25(2)7-9-26)24-22(23-17)30-16-18-4-3-5-19(15-18)21(28)27-10-12-29-13-11-27/h3-5,14-15H,6-13,16H2,1-2H3