methyl 2-methyl-3-[9-(phenylmethyl)purin-6-yl]propanoate

Systemtic Name: methyl 2-methyl-3-[9-(phenylmethyl)purin-6-yl]propanoate Openeye Name: methyl 3-(9-benzylpurin-6-yl)-2-methyl-propanoate CAS Name: 2-methyl-3-[9-(phenylmethyl)-6-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(9-benzylpurin-6-yl)-2-methylpropanoate Traditional Name: 3-(9-benzylpurin-6-yl)-2-methyl-propionic acid methyl ester Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(CC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C17H18N4O2/c1-12(17(22)23-2)8-14-15-16(19-10-18-14)21(11-20-15)9-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3