2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-2-methyl-propanoic acid

Systemtic Name: 2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-2-methyl-propanoic acid Openeye Name: 2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-2-methyl-propanoic acid CAS Name: 2-[[9-(4-methoxyphenyl)-6-purinyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-2-methylpropanoic acid Traditional Name: 2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-2-methyl-propionic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3/c1-16(2,15(22)23)20-13-12-14(18-8-17-13)21(9-19-12)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3,(H,22,23)(H,17,18,20)