4,6-dimethoxy-5-(4-nitrophenyl)sulfanyl-pyrimidin-2-amine

Systemtic Name: 4,6-dimethoxy-5-(4-nitrophenyl)sulfanyl-pyrimidin-2-amine Openeye Name: 4,6-dimethoxy-5-(4-nitrophenyl)sulfanyl-pyrimidin-2-amine CAS Name: 4,6-dimethoxy-5-[(4-nitrophenyl)thio]-2-pyrimidinamine IUPAC Name: 4,6-dimethoxy-5-(4-nitrophenyl)sulfanylpyrimidin-2-amine Traditional Name: [4,6-dimethoxy-5-[(4-nitrophenyl)thio]pyrimidin-2-yl]amine Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC(=N1)N)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=NC(=N1)N)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c1-19-10-9(11(20-2)15-12(13)14-10)21-8-5-3-7(4-6-8)16(17)18/h3-6H,1-2H3,(H2,13,14,15)