6-(2,4-dinitrophenyl)sulfanyl-7H-purine

Systemtic Name: 6-(2,4-dinitrophenyl)sulfanyl-7H-purine Openeye Name: 6-(2,4-dinitrophenyl)sulfanyl-7H-purine CAS Name: 6-[(2,4-dinitrophenyl)thio]-7H-purine IUPAC Name: 6-(2,4-dinitrophenyl)sulfanyl-7H-purine Traditional Name: 6-[(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=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NC3=C2NC=N3

InChI

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