[4-[2-azanyl-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-9-yl]cyclopent-2-en-1-yl]methanol

Systemtic Name: [4-[2-azanyl-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-9-yl]cyclopent-2-en-1-yl]methanol Openeye Name: [4-[2-amino-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-9-yl]cyclopent-2-en-1-yl]methanol CAS Name: [4-[2-amino-6-[(3-methyl-5-nitro-4-imidazolyl)thio]-9-purinyl]-1-cyclopent-2-enyl]methanol IUPAC Name: [4-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]cyclopent-2-en-1-yl]methanol Traditional Name: [4-[2-amino-6-[(3-methyl-5-nitro-imidazol-4-yl)thio]purin-9-yl]cyclopent-2-en-1-yl]methanol Formula: C15H16N8O3S MolecularWeight: 388.40434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N8O3S/c1-21-6-18-12(23(25)26)14(21)27-13-10-11(19-15(16)20-13)22(7-17-10)9-3-2-8(4-9)5-24/h2-3,6-9,24H,4-5H2,1H3,(H2,16,19,20)