6-azanyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(4-methoxy-3-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(4-methoxy-3-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)CSC2=NC(=O)C=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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