2-[2-(3-aminophenyl)-4-oxidanylidene-5-(propan-2-ylamino)pyran-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3-aminophenyl)-4-oxidanylidene-5-(propan-2-ylamino)pyran-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[2-(3-aminophenyl)-5-(isopropylamino)-4-oxo-pyran-3-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[2-(3-aminophenyl)-4-oxo-5-(propan-2-ylamino)-3-pyranyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[2-(3-aminophenyl)-4-oxo-5-(propan-2-ylamino)pyran-3-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-5-(isopropylamino)-4-keto-pyran-3-yl]acetamide Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3/c1-14(2)29-20-13-32-23(17-4-3-5-18(25)10-17)19(22(20)31)11-21(30)28-12-15-6-8-16(9-7-15)24(26)27/h3-10,13-14,29H,11-12,25H2,1-2H3,(H3,26,27)(H,28,30)