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6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(prop-2-ynoxymethyl)purine

6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(prop-2-ynoxymethyl)purine

Systemtic Name:6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(prop-2-ynoxymethyl)purine
Openeye Name:6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(prop-2-ynoxymethyl)purine
CAS Name:6-[(3-methyl-5-nitro-4-imidazolyl)thio]-9-(prop-2-ynoxymethyl)purine
IUPAC Name:6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-9-(prop-2-ynoxymethyl)purine
Traditional Name:6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-9-(propargyloxymethyl)purine
Formula: C13H11N7O3S
MolecularWeight: 345.33654
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=NC3=C2N=CN3COCC#C)[N+](=O)[O-]


Isomeric SMILES

CN1C=NC(=C1SC2=NC=NC3=C2N=CN3COCC#C)[N+](=O)[O-]


InChI

InChI=1S/C13H11N7O3S/c1-3-4-23-8-19-7-16-9-10(19)14-5-15-12(9)24-13-11(20(21)22)17-6-18(13)2/h1,5-7H,4,8H2,2H3


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