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

Systemtic Name: ethyl [[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] carbonate Openeye Name: ethyl [(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] carbonate CAS Name: carbonic acid ethyl [[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]-phenylmethyl] ester IUPAC Name: ethyl [[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]-phenylmethyl] carbonate Traditional Name: carbonic acid ethyl [(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)-phenyl-methyl] ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3CC(C)C)C

Isomeric SMILES

CCOC(=O)OC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3CC(C)C)C

InChI

InChI=1S/C20H24N4O5/c1-5-28-20(27)29-18(14-9-7-6-8-10-14)24-12-21-16-15(24)17(25)22(4)19(26)23(16)11-13(2)3/h6-10,12-13,18H,5,11H2,1-4H3