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

Systemtic Name: methyl 2,2-dimethyl-3-[1-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-3-yl]propanoate Openeye Name: methyl 3-(7-benzyl-1-methyl-2,6-dioxo-purin-3-yl)-2,2-dimethyl-propanoate CAS Name: 2,2-dimethyl-3-[1-methyl-2,6-dioxo-7-(phenylmethyl)-3-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(7-benzyl-1-methyl-2,6-dioxopurin-3-yl)-2,2-dimethylpropanoate Traditional Name: 3-(7-benzyl-2,6-diketo-1-methyl-purin-3-yl)-2,2-dimethyl-propionic acid methyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H22N4O4/c1-19(2,17(25)27-4)11-23-15-14(16(24)21(3)18(23)26)22(12-20-15)10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3