2,7-bis(azanyl)-3-(4-carbamimidoyl-3-methyl-phenyl)-4,7-bis(oxidanylidene)-2-pyridazin-3-yl-heptanoic acid

Systemtic Name: 2,7-bis(azanyl)-3-(4-carbamimidoyl-3-methyl-phenyl)-4,7-bis(oxidanylidene)-2-pyridazin-3-yl-heptanoic acid Openeye Name: 2,7-diamino-3-(4-carbamimidoyl-3-methyl-phenyl)-4,7-dioxo-2-pyridazin-3-yl-heptanoic acid CAS Name: 2,7-diamino-3-(4-carbamimidoyl-3-methylphenyl)-4,7-dioxo-2-(3-pyridazinyl)heptanoic acid IUPAC Name: 2,7-diamino-3-(4-carbamimidoyl-3-methylphenyl)-4,7-dioxo-2-pyridazin-3-ylheptanoic acid Traditional Name: 3-(4-amidino-3-methyl-phenyl)-2,7-diamino-4,7-diketo-2-pyridazin-3-yl-enanthic acid Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(=O)CCC(=O)N)C(C2=NN=CC=C2)(C(=O)O)N)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(C(=O)CCC(=O)N)C(C2=NN=CC=C2)(C(=O)O)N)C(=N)N

InChI

InChI=1S/C19H22N6O4/c1-10-9-11(4-5-12(10)17(21)22)16(13(26)6-7-15(20)27)19(23,18(28)29)14-3-2-8-24-25-14/h2-5,8-9,16H,6-7,23H2,1H3,(H2,20,27)(H3,21,22)(H,28,29)