8-[(3-nitrophenyl)methylsulfanyl]-5H-purin-6-amine

Systemtic Name: 8-[(3-nitrophenyl)methylsulfanyl]-5H-purin-6-amine Openeye Name: 8-[(3-nitrophenyl)methylsulfanyl]-5H-purin-6-amine CAS Name: 8-[(3-nitrophenyl)methylthio]-5H-purin-6-amine IUPAC Name: 8-[(3-nitrophenyl)methylsulfanyl]-5H-purin-6-amine Traditional Name: [8-[(3-nitrobenzyl)thio]-5H-purin-6-yl]amine Formula: C12H10N6O2S MolecularWeight: 302.3118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3C(=NC=NC3=N2)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3C(=NC=NC3=N2)N

InChI

InChI=1S/C12H10N6O2S/c13-10-9-11(15-6-14-10)17-12(16-9)21-5-7-2-1-3-8(4-7)18(19)20/h1-4,6,9H,5H2,(H2,13,14,15,16,17)