[[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2,2-dimethylpropanoate

Systemtic Name: [[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2,2-dimethylpropanoate Openeye Name: [(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]-phenylmethyl] ester IUPAC Name: [[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]-phenylmethyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)-phenyl-methyl] ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-14(2)12-25-17-16(18(27)24(6)21(25)29)26(13-23-17)19(15-10-8-7-9-11-15)30-20(28)22(3,4)5/h7-11,13-14,19H,12H2,1-6H3