methyl 3-[2,6-bis(oxidanylidene)-1-phenethyl-7-(phenylmethyl)purin-3-yl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[2,6-bis(oxidanylidene)-1-phenethyl-7-(phenylmethyl)purin-3-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-(7-benzyl-2,6-dioxo-1-phenethyl-purin-3-yl)-2,2-dimethyl-propanoate CAS Name: 3-[2,6-dioxo-1-phenethyl-7-(phenylmethyl)-3-purinyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-(7-benzyl-2,6-dioxo-1-phenethylpurin-3-yl)-2,2-dimethylpropanoate Traditional Name: 3-(7-benzyl-2,6-diketo-1-phenethyl-purin-3-yl)-2,2-dimethyl-propionic acid methyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H28N4O4/c1-26(2,24(32)34-3)17-30-22-21(28(18-27-22)16-20-12-8-5-9-13-20)23(31)29(25(30)33)15-14-19-10-6-4-7-11-19/h4-13,18H,14-17H2,1-3H3