2,2-dimethyl-9-(4-nitrophenyl)-1H-purine-6-carboxamide

Systemtic Name: 2,2-dimethyl-9-(4-nitrophenyl)-1H-purine-6-carboxamide Openeye Name: 2,2-dimethyl-9-(4-nitrophenyl)-1H-purine-6-carboxamide CAS Name: 2,2-dimethyl-9-(4-nitrophenyl)-1H-purine-6-carboxamide IUPAC Name: 2,2-dimethyl-9-(4-nitrophenyl)-1H-purine-6-carboxamide Traditional Name: 2,2-dimethyl-9-(4-nitrophenyl)-1H-purine-6-carboxamide Formula: C14H14N6O3 MolecularWeight: 314.29936

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(=C2C(=N1)N(C=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)C

Isomeric SMILES

CC1(NC(=C2C(=N1)N(C=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)C

InChI

InChI=1S/C14H14N6O3/c1-14(2)17-10(12(15)21)11-13(18-14)19(7-16-11)8-3-5-9(6-4-8)20(22)23/h3-7,17H,1-2H3,(H2,15,21)