tert-butyl 3-[[4-(3-azanyl-4-carbamimidoyl-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate

Systemtic Name: tert-butyl 3-[[4-(3-azanyl-4-carbamimidoyl-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate Openeye Name: tert-butyl 3-[[4-(3-amino-4-carbamimidoyl-phenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate CAS Name: 3-[[4-(3-amino-4-carbamimidoylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(3-amino-4-carbamimidoylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoate Traditional Name: 3-[[4-(4-amidino-3-amino-phenoxy)-6-keto-7,8-dihydro-5H-pteridin-2-yl]oxy]benzoic acid tert-butyl ester Formula: C24H25N7O5 MolecularWeight: 491.4992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N7O5/c1-24(2,3)36-22(33)12-5-4-6-13(9-12)35-23-30-20-18(29-17(32)11-28-20)21(31-23)34-14-7-8-15(19(26)27)16(25)10-14/h4-10H,11,25H2,1-3H3,(H3,26,27)(H,29,32)(H,28,30,31)