6-azanyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(2-methoxy-5-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2-methoxy-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H12N4O4S/c1-20-9-3-2-8(16(18)19)4-7(9)6-21-12-14-10(13)5-11(17)15-12/h2-5H,6H2,1H3,(H3,13,14,15,17)