2-[5,6-bis(azanyl)pyrimidin-4-yl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[5,6-bis(azanyl)pyrimidin-4-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(5,6-diaminopyrimidin-4-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(5,6-diamino-4-pyrimidinyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(5,6-diaminopyrimidin-4-yl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(5,6-diaminopyrimidin-4-yl)thio]-5-nitro-benzonitrile Formula: C11H8N6O2S MolecularWeight: 288.28522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)SC2=NC=NC(=C2N)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)SC2=NC=NC(=C2N)N

InChI

InChI=1S/C11H8N6O2S/c12-4-6-3-7(17(18)19)1-2-8(6)20-11-9(13)10(14)15-5-16-11/h1-3,5H,13H2,(H2,14,15,16)