ethyl 3-[3-[[2-(2-azanyl-5-carbamimidoyl-phenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[[2-(2-azanyl-5-carbamimidoyl-phenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoate Openeye Name: ethyl 3-[3-[[2-(2-amino-5-carbamimidoyl-phenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[3-[[2-(2-amino-5-carbamimidoylphenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[[2-(2-amino-5-carbamimidoylphenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[3-[[2-(5-amidino-2-amino-phenoxy)-7-(1H-imidazol-5-ylmethyl)-6-keto-7,8-dihydro-5H-pteridin-4-yl]oxy]-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propionic acid ethyl ester Formula: C32H35N11O5 MolecularWeight: 653.691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C2NCC=CN2)OC3=NC(=NC4=C3NC(=O)C(N4)CC5=CN=CN5)OC6=C(C=CC(=C6)C(=N)N)N

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C2NCC=CN2)OC3=NC(=NC4=C3NC(=O)C(N4)CC5=CN=CN5)OC6=C(C=CC(=C6)C(=N)N)N

InChI

InChI=1S/C32H35N11O5/c1-2-46-25(44)7-4-17-10-19(28-37-8-3-9-38-28)12-21(11-17)47-31-26-29(40-23(30(45)41-26)14-20-15-36-16-39-20)42-32(43-31)48-24-13-18(27(34)35)5-6-22(24)33/h3,5-6,8,10-13,15-16,23,28,37-38H,2,4,7,9,14,33H2,1H3,(H3,34,35)(H,36,39)(H,41,45)(H,40,42,43)