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

Systemtic Name: methyl 3-[2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-3-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-(7-benzyl-2,6-dioxo-purin-3-yl)-2,2-dimethyl-propanoate CAS Name: 3-[2,6-dioxo-7-(phenylmethyl)-3-purinyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-(7-benzyl-2,6-dioxopurin-3-yl)-2,2-dimethylpropanoate Traditional Name: 3-(7-benzyl-2,6-diketo-purin-3-yl)-2,2-dimethyl-propionic acid methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H20N4O4/c1-18(2,16(24)26-3)10-22-14-13(15(23)20-17(22)25)21(11-19-14)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,20,23,25)