2,6-bis[2-(1H-imidazol-5-yl)ethylamino]-1H-1,3,5-triazin-4-one

Systemtic Name: 2,6-bis[2-(1H-imidazol-5-yl)ethylamino]-1H-1,3,5-triazin-4-one Openeye Name: 2,6-bis[2-(1H-imidazol-5-yl)ethylamino]-1H-1,3,5-triazin-4-one CAS Name: 2,6-bis[2-(1H-imidazol-5-yl)ethylamino]-1H-1,3,5-triazin-4-one IUPAC Name: 2,6-bis[2-(1H-imidazol-5-yl)ethylamino]-1H-1,3,5-triazin-4-one Traditional Name: 2,6-bis[2-(1H-imidazol-5-yl)ethylamino]-1H-s-triazin-4-one Formula: C13H17N9O MolecularWeight: 315.33378

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CCNC2=NC(=O)N=C(N2)NCCC3=CN=CN3

Isomeric SMILES

C1=C(NC=N1)CCNC2=NC(=O)N=C(N2)NCCC3=CN=CN3

InChI

InChI=1S/C13H17N9O/c23-13-21-11(16-3-1-9-5-14-7-18-9)20-12(22-13)17-4-2-10-6-15-8-19-10/h5-8H,1-4H2,(H,14,18)(H,15,19)(H3,16,17,20,21,22,23)