1-[4-(cyanomethyl)-6-methoxy-pyrimidin-2-yl]-3-[(1-oxidanylidene-3,4-dihydroisochromen-8-yl)sulfonyl]urea

Systemtic Name: 1-[4-(cyanomethyl)-6-methoxy-pyrimidin-2-yl]-3-[(1-oxidanylidene-3,4-dihydroisochromen-8-yl)sulfonyl]urea Openeye Name: 1-[4-(cyanomethyl)-6-methoxy-pyrimidin-2-yl]-3-(1-oxoisochroman-8-yl)sulfonyl-urea CAS Name: 1-[4-(cyanomethyl)-6-methoxy-2-pyrimidinyl]-3-[(1-oxo-3,4-dihydro-1H-2-benzopyran-8-yl)sulfonyl]urea IUPAC Name: 1-[4-(cyanomethyl)-6-methoxypyrimidin-2-yl]-3-[(1-oxo-3,4-dihydroisochromen-8-yl)sulfonyl]urea Traditional Name: 1-[4-(cyanomethyl)-6-methoxy-pyrimidin-2-yl]-3-(1-ketoisochroman-8-yl)sulfonyl-urea Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)CC#N)NC(=O)NS(=O)(=O)C2=CC=CC3=C2C(=O)OCC3

Isomeric SMILES

COC1=NC(=NC(=C1)CC#N)NC(=O)NS(=O)(=O)C2=CC=CC3=C2C(=O)OCC3

InChI

InChI=1S/C17H15N5O6S/c1-27-13-9-11(5-7-18)19-16(20-13)21-17(24)22-29(25,26)12-4-2-3-10-6-8-28-15(23)14(10)12/h2-4,9H,5-6,8H2,1H3,(H2,19,20,21,22,24)