1-[5-(cyanomethyl)-2-methoxy-phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea

Systemtic Name: 1-[5-(cyanomethyl)-2-methoxy-phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea Openeye Name: 1-[5-(cyanomethyl)-2-methoxy-phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea CAS Name: 1-[5-(cyanomethyl)-2-methoxyphenyl]sulfonyl-3-(4,6-dimethoxy-2-pyrimidinyl)urea IUPAC Name: 1-[5-(cyanomethyl)-2-methoxyphenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea Traditional Name: 1-[5-(cyanomethyl)-2-methoxy-phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea Formula: C16H17N5O6S MolecularWeight: 407.40108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC#N)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC#N)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C16H17N5O6S/c1-25-11-5-4-10(6-7-17)8-12(11)28(23,24)21-16(22)20-15-18-13(26-2)9-14(19-15)27-3/h4-5,8-9H,6H2,1-3H3,(H2,18,19,20,21,22)