(2S)-2-[[9-[(4-methylphenyl)methyl]-8-oxidanylidene-7H-purin-6-yl]amino]propanoic acid

Systemtic Name: (2S)-2-[[9-[(4-methylphenyl)methyl]-8-oxidanylidene-7H-purin-6-yl]amino]propanoic acid Openeye Name: (2S)-2-[[8-oxo-9-(p-tolylmethyl)-7H-purin-6-yl]amino]propanoic acid CAS Name: (2S)-2-[[9-[(4-methylphenyl)methyl]-8-oxo-7H-purin-6-yl]amino]propanoic acid IUPAC Name: (2S)-2-[[9-[(4-methylphenyl)methyl]-8-oxo-7H-purin-6-yl]amino]propanoic acid Traditional Name: (2S)-2-[[8-keto-9-(4-methylbenzyl)-7H-purin-6-yl]amino]propionic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC(C)C(=O)O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N[C@@H](C)C(=O)O)NC2=O

InChI

InChI=1S/C16H17N5O3/c1-9-3-5-11(6-4-9)7-21-14-12(20-16(21)24)13(17-8-18-14)19-10(2)15(22)23/h3-6,8,10H,7H2,1-2H3,(H,20,24)(H,22,23)(H,17,18,19)/t10-/m0/s1