6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholinosulfonylphenyl)methylsulfanyl]pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[4-(4-morpholinylsulfonyl)phenyl]methylthio]-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-2-[(4-morpholinosulfonylbenzyl)thio]pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C24H32N8O3S2 MolecularWeight: 544.69268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C24H32N8O3S2/c1-18-15-22(29-28-18)25-21-16-23(31-9-7-30(2)8-10-31)27-24(26-21)36-17-19-3-5-20(6-4-19)37(33,34)32-11-13-35-14-12-32/h3-6,15-16H,7-14,17H2,1-2H3,(H2,25,26,27,28,29)