2-[[4-(2-hydroxyethylsulfinyl)phenyl]amino]-5-nitro-1H-pyrimidin-6-one

Systemtic Name: 2-[[4-(2-hydroxyethylsulfinyl)phenyl]amino]-5-nitro-1H-pyrimidin-6-one Openeye Name: 2-[4-(2-hydroxyethylsulfinyl)anilino]-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[4-(2-hydroxyethylsulfinyl)anilino]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[4-(2-hydroxyethylsulfinyl)anilino]-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[4-(2-hydroxyethylsulfinyl)anilino]-5-nitro-1H-pyrimidin-6-one Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=O)N2)[N+](=O)[O-])S(=O)CCO

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=O)N2)[N+](=O)[O-])S(=O)CCO

InChI

InChI=1S/C12H12N4O5S/c17-5-6-22(21)9-3-1-8(2-4-9)14-12-13-7-10(16(19)20)11(18)15-12/h1-4,7,17H,5-6H2,(H2,13,14,15,18)