8-(4-methyl-3-nitro-phenyl)-7H-purin-6-amine

Systemtic Name: 8-(4-methyl-3-nitro-phenyl)-7H-purin-6-amine Openeye Name: 8-(4-methyl-3-nitro-phenyl)-7H-purin-6-amine CAS Name: 8-(4-methyl-3-nitrophenyl)-7H-purin-6-amine IUPAC Name: 8-(4-methyl-3-nitrophenyl)-7H-purin-6-amine Traditional Name: [8-(4-methyl-3-nitro-phenyl)-7H-purin-6-yl]amine Formula: C12H10N6O2 MolecularWeight: 270.2468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(N2)C(=NC=N3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(N2)C(=NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O2/c1-6-2-3-7(4-8(6)18(19)20)11-16-9-10(13)14-5-15-12(9)17-11/h2-5H,1H3,(H3,13,14,15,16,17)