1-[4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]methyl]phenyl]-3-[4-methyl-3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea

Systemtic Name: 1-[4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]methyl]phenyl]-3-[4-methyl-3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea Openeye Name: 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-[4-methyl-3-[(4-morpholinopyrimidin-2-yl)amino]phenyl]urea CAS Name: 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-[4-methyl-3-[[4-(4-morpholinyl)-2-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-[4-methyl-3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]urea Traditional Name: 1-[4-[(1,1-diketo-1,4-thiazinan-4-yl)methyl]phenyl]-3-[4-methyl-3-[(4-morpholinopyrimidin-2-yl)amino]phenyl]urea Formula: C27H33N7O4S MolecularWeight: 551.66042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCS(=O)(=O)CC3)NC4=NC=CC(=N4)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCS(=O)(=O)CC3)NC4=NC=CC(=N4)N5CCOCC5

InChI

InChI=1S/C27H33N7O4S/c1-20-2-5-23(18-24(20)31-26-28-9-8-25(32-26)34-10-14-38-15-11-34)30-27(35)29-22-6-3-21(4-7-22)19-33-12-16-39(36,37)17-13-33/h2-9,18H,10-17,19H2,1H3,(H,28,31,32)(H2,29,30,35)