N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]furan-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]furan-2-carboxamide Openeye Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide CAS Name: N-[6-amino-2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-furancarboxamide IUPAC Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-2-furamide Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H13N5O5S/c17-13-12(18-14(22)11-5-2-6-26-11)15(23)20-16(19-13)27-8-9-3-1-4-10(7-9)21(24)25/h1-7H,8H2,(H,18,22)(H3,17,19,20,23)