2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]-5-nitro-benzonitrile Formula: C14H11N7O4 MolecularWeight: 341.28164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H11N7O4/c1-19-11-10(12(22)20(2)14(19)23)17-13(18-11)16-9-4-3-8(21(24)25)5-7(9)6-15/h3-5H,1-2H3,(H2,16,17,18)