methyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C24H23N7O5 MolecularWeight: 489.48332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C24H23N7O5/c1-36-23(35)18(10-13-2-8-17(32)9-3-13)29-21(33)14-4-6-15(7-5-14)26-11-16-12-27-20-19(28-16)22(34)31-24(25)30-20/h2-9,12,18,26,32H,10-11H2,1H3,(H,29,33)(H3,25,27,30,31,34)