1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]urea

Systemtic Name: 1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]urea Openeye Name: 1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-(2-phenylbenzothiophen-3-yl)sulfonyl-urea CAS Name: 1-(4-methoxy-6-methyl-2-pyrimidinyl)-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]urea IUPAC Name: 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]urea Traditional Name: 1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-(2-phenylbenzothiophen-3-yl)sulfonyl-urea Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(SC3=CC=CC=C32)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(SC3=CC=CC=C32)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H18N4O4S2/c1-13-12-17(29-2)23-20(22-13)24-21(26)25-31(27,28)19-15-10-6-7-11-16(15)30-18(19)14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,22,23,24,25,26)