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

Systemtic Name: N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)C

InChI

InChI=1S/C16H20N6O3/c1-9-5-12(22(2)21-9)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)