2-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(2,4-diaminopteridin-6-yl)methylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[(2,4-diamino-6-pteridinyl)methylamino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(2,4-diaminopteridin-6-yl)methylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(2,4-diaminopteridin-6-yl)methylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)O

InChI

InChI=1S/C16H17N7O3/c17-13-12-14(23-16(18)22-13)20-7-9(21-12)6-19-11(15(25)26)5-8-1-3-10(24)4-2-8/h1-4,7,11,19,24H,5-6H2,(H,25,26)(H4,17,18,20,22,23)