N-(5-azanylidene-2-methylsulfanyl-pyrimido[4,5-d]pyrimidin-6-yl)-4-nitro-benzamide

Systemtic Name: N-(5-azanylidene-2-methylsulfanyl-pyrimido[4,5-d]pyrimidin-6-yl)-4-nitro-benzamide Openeye Name: N-(5-imino-2-methylsulfanyl-pyrimido[4,5-d]pyrimidin-6-yl)-4-nitro-benzamide CAS Name: N-[5-imino-2-(methylthio)-6-pyrimido[4,5-d]pyrimidinyl]-4-nitrobenzamide IUPAC Name: N-(5-imino-2-methylsulfanylpyrimido[4,5-d]pyrimidin-6-yl)-4-nitrobenzamide Traditional Name: N-[5-imino-2-(methylthio)pyrimido[4,5-d]pyrimidin-6-yl]-4-nitro-benzamide Formula: C14H11N7O3S MolecularWeight: 357.34724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N7O3S/c1-25-14-16-6-10-11(15)20(7-17-12(10)18-14)19-13(22)8-2-4-9(5-3-8)21(23)24/h2-7,15H,1H3,(H,19,22)