3-[4-(2-cyano-6-nitro-pyrimidin-4-yl)sulfanylphenyl]-1-methoxy-1-methyl-urea

Systemtic Name: 3-[4-(2-cyano-6-nitro-pyrimidin-4-yl)sulfanylphenyl]-1-methoxy-1-methyl-urea Openeye Name: 3-[4-(2-cyano-6-nitro-pyrimidin-4-yl)sulfanylphenyl]-1-methoxy-1-methyl-urea CAS Name: 3-[4-[(2-cyano-6-nitro-4-pyrimidinyl)thio]phenyl]-1-methoxy-1-methylurea IUPAC Name: 3-[4-(2-cyano-6-nitropyrimidin-4-yl)sulfanylphenyl]-1-methoxy-1-methylurea Traditional Name: 3-[4-[(2-cyano-6-nitro-pyrimidin-4-yl)thio]phenyl]-1-methoxy-1-methyl-urea Formula: C14H12N6O4S MolecularWeight: 360.34788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=CC=C(C=C1)SC2=NC(=NC(=C2)[N+](=O)[O-])C#N)OC

Isomeric SMILES

CN(C(=O)NC1=CC=C(C=C1)SC2=NC(=NC(=C2)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C14H12N6O4S/c1-19(24-2)14(21)16-9-3-5-10(6-4-9)25-13-7-12(20(22)23)17-11(8-15)18-13/h3-7H,1-2H3,(H,16,21)