3-[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]propanoic acid

Systemtic Name: 3-[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]propanoic acid Openeye Name: 3-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)propanoic acid CAS Name: 3-[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]propanoic acid IUPAC Name: 3-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)propanoic acid Traditional Name: 3-(6-amino-9-benzyl-8-keto-7H-purin-2-yl)propionic acid Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CCC(=O)O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CCC(=O)O)N)NC2=O

InChI

InChI=1S/C15H15N5O3/c16-13-12-14(18-10(17-13)6-7-11(21)22)20(15(23)19-12)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,19,23)(H,21,22)(H2,16,17,18)