6-(2-ethyl-5-nitro-3-propyl-imidazol-4-yl)sulfanyl-7H-purine

Systemtic Name: 6-(2-ethyl-5-nitro-3-propyl-imidazol-4-yl)sulfanyl-7H-purine Openeye Name: 6-(2-ethyl-5-nitro-3-propyl-imidazol-4-yl)sulfanyl-7H-purine CAS Name: 6-[(2-ethyl-5-nitro-3-propyl-4-imidazolyl)thio]-7H-purine IUPAC Name: 6-(2-ethyl-5-nitro-3-propylimidazol-4-yl)sulfanyl-7H-purine Traditional Name: 6-[(2-ethyl-5-nitro-3-propyl-imidazol-4-yl)thio]-7H-purine Formula: C13H15N7O2S MolecularWeight: 333.3689

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-])CC

Isomeric SMILES

CCCN1C(=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-])CC

InChI

InChI=1S/C13H15N7O2S/c1-3-5-19-8(4-2)18-11(20(21)22)13(19)23-12-9-10(15-6-14-9)16-7-17-12/h6-7H,3-5H2,1-2H3,(H,14,15,16,17)