2-[3-(3-azanyl-2-methyl-phenyl)-4-chloranyl-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3-azanyl-2-methyl-phenyl)-4-chloranyl-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-amino-2-methyl-phenyl)-4-chloro-1-hydroxy-6-isopropylimino-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-amino-2-methylphenyl)-4-chloro-1-hydroxy-6-propan-2-ylimino-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-amino-2-methylphenyl)-4-chloro-1-hydroxy-6-propan-2-yliminopyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-amino-2-methyl-phenyl)-4-chloro-1-hydroxy-6-isopropylimino-2-pyridyl]acetamide Formula: C25H29ClN6O2 MolecularWeight: 480.98976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C2=C(N(C(=NC(C)C)C=C2Cl)O)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=CC=C1N)C2=C(N(C(=NC(C)C)C=C2Cl)O)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H29ClN6O2/c1-14(2)31-22-11-19(26)24(18-5-4-6-20(27)15(18)3)21(32(22)34)12-23(33)30-13-16-7-9-17(10-8-16)25(28)29/h4-11,14,34H,12-13,27H2,1-3H3,(H3,28,29)(H,30,33)