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

Systemtic Name: [3-[[4-(dimethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [3-[[[4-(dimethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [3-[[4-(dimethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-[[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C)N(C)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C)N(C)C

InChI

InChI=1S/C22H31N5OS/c1-16(2)19-14-20(25(3)4)24-22(23-19)29-15-17-7-6-8-18(13-17)21(28)27-11-9-26(5)10-12-27/h6-8,13-14,16H,9-12,15H2,1-5H3