6-[(3-nitrophenyl)methylsulfanyl]-5H-purin-2-amine

Systemtic Name: 6-[(3-nitrophenyl)methylsulfanyl]-5H-purin-2-amine Openeye Name: 6-[(3-nitrophenyl)methylsulfanyl]-5H-purin-2-amine CAS Name: 6-[(3-nitrophenyl)methylthio]-5H-purin-2-amine IUPAC Name: 6-[(3-nitrophenyl)methylsulfanyl]-5H-purin-2-amine Traditional Name: [6-[(3-nitrobenzyl)thio]-5H-purin-2-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=NC(=NC3=NC=NC32)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=NC3=NC=NC32)N

InChI

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