[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 2-azanyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 2-azanyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 2-amino-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-amino-4,6-dimethyl-3-pyridinecarboxylic acid [2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl] ester IUPAC Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 2-amino-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-amino-4,6-dimethyl-nicotinic acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C25H23N7O2 MolecularWeight: 453.49582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC2=CC=CC=C2NC(=NC3=NN=C(C=C3)C4=CC=CC=C4)N)N)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OC2=CC=CC=C2NC(=NC3=NN=C(C=C3)C4=CC=CC=C4)N)N)C

InChI

InChI=1S/C25H23N7O2/c1-15-14-16(2)28-23(26)22(15)24(33)34-20-11-7-6-10-19(20)29-25(27)30-21-13-12-18(31-32-21)17-8-4-3-5-9-17/h3-14H,1-2H3,(H2,26,28)(H3,27,29,30,32)