6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(phenylmethyl)purin-2-amine

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-2-amine CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine Traditional Name: [9-benzyl-6-[(3-methyl-5-nitro-imidazol-4-yl)thio]purin-2-yl]amine Formula: C16H14N8O2S MolecularWeight: 382.39976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N8O2S/c1-22-8-19-13(24(25)26)15(22)27-14-11-12(20-16(17)21-14)23(9-18-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,17,20,21)