(2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[9-(4-methoxyphenyl)-6-purinyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-methyl-butyric acid Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H19N5O3/c1-10(2)13(17(23)24)21-15-14-16(19-8-18-15)22(9-20-14)11-4-6-12(25-3)7-5-11/h4-10,13H,1-3H3,(H,23,24)(H,18,19,21)/t13-/m0/s1