6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-6-methyl-2-thioxo-1H-pyrimidin-4-one Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H11N3O4S/c1-6-9(11(17)14-12(20)13-6)5-7-4-8(15(18)19)2-3-10(7)16/h2-4,16H,5H2,1H3,(H2,13,14,17,20)