2-[[2-[3-[bis(azanyl)methylideneamino]phenoxy]-7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-4-carbamimidoyl-benzoic acid

Systemtic Name: 2-[[2-[3-[bis(azanyl)methylideneamino]phenoxy]-7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-4-carbamimidoyl-benzoic acid Openeye Name: 4-carbamimidoyl-2-[[2-(3-guanidinophenoxy)-7-(indolin-3-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid CAS Name: 4-carbamimidoyl-2-[[2-[3-(diaminomethylideneamino)phenoxy]-7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid IUPAC Name: 4-carbamimidoyl-2-[[2-[3-(diaminomethylideneamino)phenoxy]-7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid Traditional Name: 4-amidino-2-[[2-(3-guanidinophenoxy)-7-(indolin-3-ylmethyl)-6-keto-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid Formula: C30H28N10O5 MolecularWeight: 608.60732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2N1)CC3C(=O)NC4=C(N3)N=C(N=C4OC5=C(C=CC(=C5)C(=N)N)C(=O)O)OC6=CC=CC(=C6)N=C(N)N

Isomeric SMILES

C1C(C2=CC=CC=C2N1)CC3C(=O)NC4=C(N3)N=C(N=C4OC5=C(C=CC(=C5)C(=N)N)C(=O)O)OC6=CC=CC(=C6)N=C(N)N

InChI

InChI=1S/C30H28N10O5/c31-24(32)14-8-9-19(28(42)43)22(11-14)45-27-23-25(39-30(40-27)44-17-5-3-4-16(12-17)36-29(33)34)37-21(26(41)38-23)10-15-13-35-20-7-2-1-6-18(15)20/h1-9,11-12,15,21,35H,10,13H2,(H3,31,32)(H,38,41)(H,42,43)(H4,33,34,36)(H,37,39,40)