4-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]butanoic acid

Systemtic Name: 4-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]butanoic acid Openeye Name: 4-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]butanoic acid CAS Name: 4-[[6-oxo-7-(phenylmethyl)-3H-purin-2-yl]amino]butanoic acid IUPAC Name: 4-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]butanoic acid Traditional Name: 4-[(7-benzyl-6-keto-3H-purin-2-yl)amino]butyric acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)NCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)NCCCC(=O)O

InChI

InChI=1S/C16H17N5O3/c22-12(23)7-4-8-17-16-19-14-13(15(24)20-16)21(10-18-14)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H,22,23)(H2,17,19,20,24)