2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-methyl-amino]-2-(4-hydroxyphenyl)ethanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-methyl-amino]-2-(4-hydroxyphenyl)ethanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-methyl-amino]-2-(4-hydroxyphenyl)acetic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]-methylamino]-2-(4-hydroxyphenyl)acetic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-methylamino]-2-(4-hydroxyphenyl)acetic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]-methyl-amino]-2-(4-hydroxyphenyl)acetic acid Formula: C23H21N7O5 MolecularWeight: 475.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N7O5/c1-30(18(22(34)35)12-4-8-16(31)9-5-12)21(33)13-2-6-14(7-3-13)25-10-15-11-26-19-17(27-15)20(32)29-23(24)28-19/h2-9,11,18,25,31H,10H2,1H3,(H,34,35)(H3,24,26,28,29,32)