6-[6-(methylamino)-5-nitro-pyrimidin-4-yl]sulfanyl-5H-purin-2-amine

Systemtic Name: 6-[6-(methylamino)-5-nitro-pyrimidin-4-yl]sulfanyl-5H-purin-2-amine Openeye Name: 6-[6-(methylamino)-5-nitro-pyrimidin-4-yl]sulfanyl-5H-purin-2-amine CAS Name: 6-[[6-(methylamino)-5-nitro-4-pyrimidinyl]thio]-5H-purin-2-amine IUPAC Name: 6-[6-(methylamino)-5-nitropyrimidin-4-yl]sulfanyl-5H-purin-2-amine Traditional Name: [6-[(2-amino-5H-purin-6-yl)thio]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C10H9N9O2S MolecularWeight: 319.30256

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)SC2=NC(=NC3=NC=NC32)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)SC2=NC(=NC3=NC=NC32)N)[N+](=O)[O-]

InChI

InChI=1S/C10H9N9O2S/c1-12-7-5(19(20)21)9(16-3-15-7)22-8-4-6(14-2-13-4)17-10(11)18-8/h2-4H,1H3,(H,12,15,16)(H2,11,13,14,17)