3-[[2-[3-[bis(azanyl)methylideneamino]-5-methyl-phenoxy]-7-oxidanylidene-8H-pteridin-4-yl]oxy]-4-phenoxy-benzenecarboximidamide

Systemtic Name: 3-[[2-[3-[bis(azanyl)methylideneamino]-5-methyl-phenoxy]-7-oxidanylidene-8H-pteridin-4-yl]oxy]-4-phenoxy-benzenecarboximidamide Openeye Name: 3-[[2-(3-guanidino-5-methyl-phenoxy)-7-oxo-8H-pteridin-4-yl]oxy]-4-phenoxy-benzamidine CAS Name: 3-[[2-[3-(diaminomethylideneamino)-5-methylphenoxy]-7-oxo-8H-pteridin-4-yl]oxy]-4-phenoxybenzenecarboximidamide IUPAC Name: 3-[[2-[3-(diaminomethylideneamino)-5-methylphenoxy]-7-oxo-8H-pteridin-4-yl]oxy]-4-phenoxybenzenecarboximidamide Traditional Name: 3-[[2-(3-guanidino-5-methyl-phenoxy)-7-keto-8H-pteridin-4-yl]oxy]-4-phenoxy-benzamidine Formula: C27H23N9O4 MolecularWeight: 537.52942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5)N=CC(=O)N3)N=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5)N=CC(=O)N3)N=C(N)N

InChI

InChI=1S/C27H23N9O4/c1-14-9-16(33-26(30)31)12-18(10-14)39-27-35-24-22(32-13-21(37)34-24)25(36-27)40-20-11-15(23(28)29)7-8-19(20)38-17-5-3-2-4-6-17/h2-13H,1H3,(H3,28,29)(H4,30,31,33)(H,34,35,36,37)