2-azanyl-4-methylsulfanyl-1-(4-nitrophenyl)-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-methylsulfanyl-1-(4-nitrophenyl)-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-methylsulfanyl-1-(4-nitrophenyl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(methylthio)-1-(4-nitrophenyl)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-methylsulfanyl-1-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 2-amino-6-keto-4-(methylthio)-1-(4-nitrophenyl)pyrimidine-5-carbonitrile Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(C(=N1)N)C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=C(C(=O)N(C(=N1)N)C2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H9N5O3S/c1-21-10-9(6-13)11(18)16(12(14)15-10)7-2-4-8(5-3-7)17(19)20/h2-5H,1H3,(H2,14,15)