(3S,6S)-3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione

Systemtic Name: (3S,6S)-3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Openeye Name: (3S,6S)-3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione CAS Name: (3S,6S)-3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6S)-3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Traditional Name: (3S,6S)-3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-quinone Formula: C12H14N6O2 MolecularWeight: 274.27856

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC2C(=O)NC(C(=O)N2)CC3=CN=CN3

Isomeric SMILES

C1=C(NC=N1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CN=CN3

InChI

InChI=1S/C12H14N6O2/c19-11-9(1-7-3-13-5-15-7)17-12(20)10(18-11)2-8-4-14-6-16-8/h3-6,9-10H,1-2H2,(H,13,15)(H,14,16)(H,17,20)(H,18,19)/t9-,10-/m0/s1