1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea

Systemtic Name: 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea Openeye Name: 1-[4-(4,5-dihydrothiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea CAS Name: 1-[4-[(4,5-dihydrothiazol-2-ylthio)methyl]-6-methoxy-2-pyrimidinyl]-3-(2-nitrophenyl)sulfonylurea IUPAC Name: 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxypyrimidin-2-yl]-3-(2-nitrophenyl)sulfonylurea Traditional Name: 1-[4-methoxy-6-[(2-thiazolin-2-ylthio)methyl]pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea Formula: C16H16N6O6S3 MolecularWeight: 484.52984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)CSC2=NCCS2)NC(=O)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=NC(=NC(=C1)CSC2=NCCS2)NC(=O)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O6S3/c1-28-13-8-10(9-30-16-17-6-7-29-16)18-14(19-13)20-15(23)21-31(26,27)12-5-3-2-4-11(12)22(24)25/h2-5,8H,6-7,9H2,1H3,(H2,18,19,20,21,23)