methyl 3-azanyl-5-[5-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(propan-2-ylamino)-1H-pyridazin-6-yl]benzoate

Systemtic Name: methyl 3-azanyl-5-[5-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(propan-2-ylamino)-1H-pyridazin-6-yl]benzoate Openeye Name: methyl 3-amino-5-[5-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-(isopropylamino)-4-oxo-1H-pyridazin-6-yl]benzoate CAS Name: 3-amino-5-[5-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-oxo-3-(propan-2-ylamino)-1H-pyridazin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-5-[5-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-oxo-3-(propan-2-ylamino)-1H-pyridazin-6-yl]benzoate Traditional Name: 3-[5-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-3-(isopropylamino)-4-keto-1H-pyridazin-6-yl]-5-amino-benzoic acid methyl ester Formula: C25H29N7O4 MolecularWeight: 491.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NNC(=C(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)C(=O)OC

Isomeric SMILES

CC(C)NC1=NNC(=C(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)C(=O)OC

InChI

InChI=1S/C25H29N7O4/c1-13(2)30-24-22(34)19(11-20(33)29-12-14-4-6-15(7-5-14)23(27)28)21(31-32-24)16-8-17(25(35)36-3)10-18(26)9-16/h4-10,13H,11-12,26H2,1-3H3,(H3,27,28)(H,29,33)(H,30,32)(H,31,34)