2-[3-[(6-azanyl-8-oxidanylidene-2-phenylmethoxy-7H-purin-9-yl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[(6-azanyl-8-oxidanylidene-2-phenylmethoxy-7H-purin-9-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[(6-amino-2-benzyloxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid CAS Name: 2-[3-[(6-amino-8-oxo-2-phenylmethoxy-7H-purin-9-yl)methyl]phenyl]acetic acid IUPAC Name: 2-[3-[(6-amino-8-oxo-2-phenylmethoxy-7H-purin-9-yl)methyl]phenyl]acetic acid Traditional Name: 2-[3-[(6-amino-2-benzoxy-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C21H19N5O4/c22-18-17-19(25-20(24-18)30-12-13-5-2-1-3-6-13)26(21(29)23-17)11-15-8-4-7-14(9-15)10-16(27)28/h1-9H,10-12H2,(H,23,29)(H,27,28)(H2,22,24,25)