N-(5-azanylidene-2-methylsulfanyl-pyrimido[4,5-d]pyrimidin-6-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

Systemtic Name: N-(5-azanylidene-2-methylsulfanyl-pyrimido[4,5-d]pyrimidin-6-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-(5-imino-2-methylsulfanyl-pyrimido[4,5-d]pyrimidin-6-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-[5-imino-2-(methylthio)-6-pyrimido[4,5-d]pyrimidinyl]-5-[(4-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-(5-imino-2-methylsulfanylpyrimido[4,5-d]pyrimidin-6-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-[5-imino-2-(methylthio)pyrimido[4,5-d]pyrimidin-6-yl]-5-[(4-nitropyrazol-1-yl)methyl]-2-furamide Formula: C16H13N9O4S MolecularWeight: 427.39732

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N)N(C=NC2=N1)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=C2C(=N)N(C=NC2=N1)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N9O4S/c1-30-16-18-5-11-13(17)24(8-19-14(11)21-16)22-15(26)12-3-2-10(29-12)7-23-6-9(4-20-23)25(27)28/h2-6,8,17H,7H2,1H3,(H,22,26)