ethyl 4-[[4-(5-carbamimidoyl-2-methyl-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate

Systemtic Name: ethyl 4-[[4-(5-carbamimidoyl-2-methyl-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate Openeye Name: ethyl 4-[[4-(5-carbamimidoyl-2-methyl-phenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate CAS Name: 4-[[4-(5-carbamimidoyl-2-methylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(5-carbamimidoyl-2-methylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate Traditional Name: 4-[[4-(5-amidino-2-methyl-phenoxy)-6-keto-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoic acid ethyl ester Formula: C23H22N6O5 MolecularWeight: 462.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C(=N)N)C)NC(=O)CN3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C(=N)N)C)NC(=O)CN3

InChI

InChI=1S/C23H22N6O5/c1-3-32-22(31)13-6-8-15(9-7-13)33-23-28-20-18(27-17(30)11-26-20)21(29-23)34-16-10-14(19(24)25)5-4-12(16)2/h4-10H,3,11H2,1-2H3,(H3,24,25)(H,27,30)(H,26,28,29)