1-(6-methylpyridin-3-yl)-3-[[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-4-yl]methyl]urea

Systemtic Name: 1-(6-methylpyridin-3-yl)-3-[[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-4-yl]methyl]urea Openeye Name: 1-(6-methyl-3-pyridyl)-3-[[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-4-yl]methyl]urea CAS Name: 1-(6-methyl-3-pyridinyl)-3-[[2-[(4-methylsulfonyl-1-piperazinyl)methyl]-1,3-benzoxazol-4-yl]methyl]urea IUPAC Name: 1-(6-methylpyridin-3-yl)-3-[[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-4-yl]methyl]urea Traditional Name: 1-[[2-[(4-mesylpiperazino)methyl]-1,3-benzoxazol-4-yl]methyl]-3-(6-methyl-3-pyridyl)urea Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=C3C(=CC=C2)OC(=N3)CN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=C3C(=CC=C2)OC(=N3)CN4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H26N6O4S/c1-15-6-7-17(13-22-15)24-21(28)23-12-16-4-3-5-18-20(16)25-19(31-18)14-26-8-10-27(11-9-26)32(2,29)30/h3-7,13H,8-12,14H2,1-2H3,(H2,23,24,28)