1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-[(4-methyl-3-sulfanylidene-1,4-benzoxazin-5-yl)sulfonyl]urea

Systemtic Name: 1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-[(4-methyl-3-sulfanylidene-1,4-benzoxazin-5-yl)sulfonyl]urea Openeye Name: 1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-[(4-methyl-3-thioxo-1,4-benzoxazin-5-yl)sulfonyl]urea CAS Name: 1-(4-methoxy-6-methyl-2-pyrimidinyl)-3-[(4-methyl-3-sulfanylidene-1,4-benzoxazin-5-yl)sulfonyl]urea IUPAC Name: 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-[(4-methyl-3-sulfanylidene-1,4-benzoxazin-5-yl)sulfonyl]urea Traditional Name: 1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-[(4-methyl-3-thioxo-1,4-benzoxazin-5-yl)sulfonyl]urea Formula: C16H17N5O5S2 MolecularWeight: 423.46668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2N(C(=S)CO3)C)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2N(C(=S)CO3)C)OC

InChI

InChI=1S/C16H17N5O5S2/c1-9-7-12(25-3)18-15(17-9)19-16(22)20-28(23,24)11-6-4-5-10-14(11)21(2)13(27)8-26-10/h4-7H,8H2,1-3H3,(H2,17,18,19,20,22)