8-(2,4-dinitrophenyl)sulfanyl-7H-purin-6-amine

Systemtic Name: 8-(2,4-dinitrophenyl)sulfanyl-7H-purin-6-amine Openeye Name: 8-(2,4-dinitrophenyl)sulfanyl-7H-purin-6-amine CAS Name: 8-[(2,4-dinitrophenyl)thio]-7H-purin-6-amine IUPAC Name: 8-(2,4-dinitrophenyl)sulfanyl-7H-purin-6-amine Traditional Name: [8-[(2,4-dinitrophenyl)thio]-7H-purin-6-yl]amine Formula: C11H7N7O4S MolecularWeight: 333.28278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C11H7N7O4S/c12-9-8-10(14-4-13-9)16-11(15-8)23-7-2-1-5(17(19)20)3-6(7)18(21)22/h1-4H,(H3,12,13,14,15,16)