2-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(2-amino-6-oxo-3H-purin-9-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(2-amino-6-keto-3H-purin-9-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H16N6O4/c17-16-20-13-12(14(24)21-16)18-8-22(13)7-11(23)19-10(15(25)26)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,19,23)(H,25,26)(H3,17,20,21,24)