2-[4-(3-azanyl-5-methoxy-phenyl)-1-(cyclopropylamino)-6-oxidanylidene-1,2,3-triazin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(3-azanyl-5-methoxy-phenyl)-1-(cyclopropylamino)-6-oxidanylidene-1,2,3-triazin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[4-(3-amino-5-methoxy-phenyl)-1-(cyclopropylamino)-6-oxo-triazin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[4-(3-amino-5-methoxyphenyl)-1-(cyclopropylamino)-6-oxo-5-triazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[4-(3-amino-5-methoxyphenyl)-1-(cyclopropylamino)-6-oxotriazin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[4-(3-amino-5-methoxy-phenyl)-1-(cyclopropylamino)-6-keto-triazin-5-yl]acetamide Formula: C23H26N8O3 MolecularWeight: 462.50434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N)C2=C(C(=O)N(N=N2)NC3CC3)CC(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC1=CC(=CC(=C1)N)C2=C(C(=O)N(N=N2)NC3CC3)CC(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H26N8O3/c1-34-18-9-15(8-16(24)10-18)21-19(23(33)31(30-28-21)29-17-6-7-17)11-20(32)27-12-13-2-4-14(5-3-13)22(25)26/h2-5,8-10,17,29H,6-7,11-12,24H2,1H3,(H3,25,26)(H,27,32)