2-azanyl-4-methylsulfanyl-6-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-methylsulfanyl-6-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-methylsulfanyl-6-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(methylthio)-6-[[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-methylsulfanyl-6-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]thio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C#N

InChI

InChI=1S/C16H13N5O3S2/c1-25-14-9(5-17)15(21-16(18)20-14)26-7-11(22)8-2-3-12-10(4-8)19-13(23)6-24-12/h2-4H,6-7H2,1H3,(H,19,23)(H2,18,20,21)