tert-butyl 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoate

Systemtic Name: tert-butyl 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoate Openeye Name: tert-butyl 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoate CAS Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoate Traditional Name: 4-amidino-2-[[6-keto-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid tert-butyl ester Formula: C28H30N8O5 MolecularWeight: 558.5884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C(=N)N)OC2=NC(=NC3=C2NC(=O)CN3)OC4=CC=CC(=C4)C5=NCCN5C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C(=N)N)OC2=NC(=NC3=C2NC(=O)CN3)OC4=CC=CC(=C4)C5=NCCN5C

InChI

InChI=1S/C28H30N8O5/c1-28(2,3)41-26(38)18-9-8-15(22(29)30)13-19(18)40-25-21-23(32-14-20(37)33-21)34-27(35-25)39-17-7-5-6-16(12-17)24-31-10-11-36(24)4/h5-9,12-13H,10-11,14H2,1-4H3,(H3,29,30)(H,33,37)(H,32,34,35)