N4-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)-2-nitro-benzene-1,4-diamine

Systemtic Name: N4-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)-2-nitro-benzene-1,4-diamine Openeye Name: N4-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)-2-nitro-benzene-1,4-diamine CAS Name: N4-[6-(methylthio)-4-pyrimido[5,4-d]pyrimidinyl]-2-nitrobenzene-1,4-diamine IUPAC Name: 4-N-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)-2-nitrobenzene-1,4-diamine Traditional Name: (4-amino-3-nitro-phenyl)-[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C13H11N7O2S MolecularWeight: 329.33714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N7O2S/c1-23-13-15-5-9-11(19-13)12(17-6-16-9)18-7-2-3-8(14)10(4-7)20(21)22/h2-6H,14H2,1H3,(H,16,17,18)