[4-[2-azanyl-3-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propyl]imidazol-1-yl]carbonylboron

Systemtic Name: [4-[2-azanyl-3-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propyl]imidazol-1-yl]carbonylboron Openeye Name: [4-[2-amino-3-[(2-amino-2-oxo-ethyl)amino]-3-oxo-propyl]imidazole-1-carbonyl]boron CAS Name: [[4-[2-amino-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-1-imidazolyl]-oxomethyl]boron IUPAC Name: [4-[2-amino-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]imidazole-1-carbonyl]boron Traditional Name: [4-[2-amino-3-[(2-amino-2-keto-ethyl)amino]-3-keto-propyl]imidazole-1-carbonyl]boron Formula: C9H12BN5O3 MolecularWeight: 249.03428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)N1C=C(N=C1)CC(C(=O)NCC(=O)N)N

Isomeric SMILES

[B]C(=O)N1C=C(N=C1)CC(C(=O)NCC(=O)N)N

InChI

InChI=1S/C9H12BN5O3/c10-9(18)15-3-5(14-4-15)1-6(11)8(17)13-2-7(12)16/h3-4,6H,1-2,11H2,(H2,12,16)(H,13,17)