1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 3,7-diisobutyl-1-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 3,7-diisobutyl-1-[2-keto-2-(3-methoxyphenyl)ethyl]xanthine Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N4O4/c1-14(2)10-24-13-23-20-19(24)21(28)26(22(29)25(20)11-15(3)4)12-18(27)16-7-6-8-17(9-16)30-5/h6-9,13-15H,10-12H2,1-5H3