N-(4-chloranyl-3-nitro-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(4-chloro-3-nitro-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(4-chloro-3-nitrophenyl)-6-(methylthio)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(4-chloro-3-nitrophenyl)-6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (4-chloro-3-nitro-phenyl)-[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C13H9ClN6O2S MolecularWeight: 348.76756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN6O2S/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,1H3,(H,16,17,18)