(4R,5R)-7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione

Systemtic Name: (4R,5R)-7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione Openeye Name: (4R,5R)-7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione CAS Name: (4R,5R)-7-(1-benzotriazolylmethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione IUPAC Name: (4R,5R)-7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione Traditional Name: (4R,5R)-7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-quinone Formula: C14H15N7O2 MolecularWeight: 313.3146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1[C@@H]2[C@H](C(=O)N(C1=O)C)N(C=N2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H15N7O2/c1-18-12-11(13(22)19(2)14(18)23)20(7-15-12)8-21-10-6-4-3-5-9(10)16-17-21/h3-7,11-12H,8H2,1-2H3/t11-,12-/m1/s1