8-(4-nitrophenyl)sulfanyl-7H-purin-6-amine

Systemtic Name: 8-(4-nitrophenyl)sulfanyl-7H-purin-6-amine Openeye Name: 8-(4-nitrophenyl)sulfanyl-7H-purin-6-amine CAS Name: 8-[(4-nitrophenyl)thio]-7H-purin-6-amine IUPAC Name: 8-(4-nitrophenyl)sulfanyl-7H-purin-6-amine Traditional Name: [8-[(4-nitrophenyl)thio]-7H-purin-6-yl]amine Formula: C11H8N6O2S MolecularWeight: 288.28522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N6O2S/c12-9-8-10(14-5-13-9)16-11(15-8)20-7-3-1-6(2-4-7)17(18)19/h1-5H,(H3,12,13,14,15,16)