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

Systemtic Name: 1-[5-(cyanomethyl)-2-methoxy-phenyl]sulfonyl-3-(4,6-diethoxypyrimidin-2-yl)urea Openeye Name: 1-[5-(cyanomethyl)-2-methoxy-phenyl]sulfonyl-3-(4,6-diethoxypyrimidin-2-yl)urea CAS Name: 1-[5-(cyanomethyl)-2-methoxyphenyl]sulfonyl-3-(4,6-diethoxy-2-pyrimidinyl)urea IUPAC Name: 1-[5-(cyanomethyl)-2-methoxyphenyl]sulfonyl-3-(4,6-diethoxypyrimidin-2-yl)urea Traditional Name: 1-[5-(cyanomethyl)-2-methoxy-phenyl]sulfonyl-3-(4,6-diethoxypyrimidin-2-yl)urea Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CC#N)OC)OCC

Isomeric SMILES

CCOC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CC#N)OC)OCC

InChI

InChI=1S/C18H21N5O6S/c1-4-28-15-11-16(29-5-2)21-17(20-15)22-18(24)23-30(25,26)14-10-12(8-9-19)6-7-13(14)27-3/h6-7,10-11H,4-5,8H2,1-3H3,(H2,20,21,22,23,24)