2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-oxidanyl-phenyl]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanedioic acid

Systemtic Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-oxidanyl-phenyl]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanedioic acid Openeye Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxo-cyclohexa-1,5-dien-1-yl]butanedioic acid CAS Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-[2-hydroxy-5-[(4-methyl-1-piperazinyl)methyl]phenyl]-4-oxo-1-cyclohexa-1,5-dienyl]butanedioic acid IUPAC Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid Traditional Name: 2-[(3Z)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-[2-hydroxy-5-[(4-methylpiperazino)methyl]phenyl]-4-keto-cyclohexa-1,5-dien-1-yl]succinic acid Formula: C30H32N6O6 MolecularWeight: 572.61168

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C(C=C2)O)C3=CC(=CC(=C4NC5=C(N4)C=C(C=C5)C(=N)N)C3=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C(C=C2)O)C3=CC(=C/C(=C/4\NC5=C(N4)C=C(C=C5)C(=N)N)/C3=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C30H32N6O6/c1-35-6-8-36(9-7-35)15-16-2-5-25(37)20(10-16)21-11-18(19(30(41)42)14-26(38)39)12-22(27(21)40)29-33-23-4-3-17(28(31)32)13-24(23)34-29/h2-5,10-13,19,33-34,37H,6-9,14-15H2,1H3,(H3,31,32)(H,38,39)(H,41,42)/b29-22-