4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-nitro-benzonitrile CAS Name: 4-[(4,6-diamino-2-pyrimidinyl)thio]-3-nitrobenzonitrile IUPAC Name: 4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[(4,6-diaminopyrimidin-2-yl)thio]-3-nitro-benzonitrile Formula: C11H8N6O2S MolecularWeight: 288.28522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C11H8N6O2S/c12-5-6-1-2-8(7(3-6)17(18)19)20-11-15-9(13)4-10(14)16-11/h1-4H,(H4,13,14,15,16)