6-[(2-nitrocyclohexyl)methylsulfanyl]-7H-purin-2-amine

Systemtic Name: 6-[(2-nitrocyclohexyl)methylsulfanyl]-7H-purin-2-amine Openeye Name: 6-[(2-nitrocyclohexyl)methylsulfanyl]-7H-purin-2-amine CAS Name: 6-[(2-nitrocyclohexyl)methylthio]-7H-purin-2-amine IUPAC Name: 6-[(2-nitrocyclohexyl)methylsulfanyl]-7H-purin-2-amine Traditional Name: [6-[(2-nitrocyclohexyl)methylthio]-7H-purin-2-yl]amine Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CSC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C(C1)CSC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O2S/c13-12-16-10-9(14-6-15-10)11(17-12)21-5-7-3-1-2-4-8(7)18(19)20/h6-8H,1-5H2,(H3,13,14,15,16,17)