6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-4-one Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O3S/c12-9-5-10(16)14-11(13-9)19-6-7-1-3-8(4-2-7)15(17)18/h1-5H,6H2,(H3,12,13,14,16)