N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide hydrochloride

Systemtic Name: N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide hydrochloride Openeye Name: N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide hydrochloride CAS Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-1,5-dimethyl-3-pyrazolecarboxamide hydrochloride IUPAC Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide hydrochloride Traditional Name: N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-1,5-dimethyl-pyrazole-3-carboxamide hydrochloride Formula: C16H21ClN6O3 MolecularWeight: 380.82934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N.Cl

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N.Cl

InChI

InChI=1S/C16H20N6O3.ClH/c1-9-5-12(21-22(9)2)16(24)20-7-11-4-3-10(15(18)19)6-13(11)25-8-14(17)23;/h3-6H,7-8H2,1-2H3,(H2,17,23)(H3,18,19)(H,20,24);1H