2-(2,4-dinitrophenyl)sulfanyl-7H-purine

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-7H-purine Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-7H-purine CAS Name: 2-[(2,4-dinitrophenyl)thio]-7H-purine IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-7H-purine Traditional Name: 2-[(2,4-dinitrophenyl)thio]-7H-purine Formula: C11H6N6O4S MolecularWeight: 318.26814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=C3C(=N2)N=CN3

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=C3C(=N2)N=CN3

InChI

InChI=1S/C11H6N6O4S/c18-16(19)6-1-2-9(8(3-6)17(20)21)22-11-12-4-7-10(15-11)14-5-13-7/h1-5H,(H,12,13,14,15)