1-ethyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione

Systemtic Name: 1-ethyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione Openeye Name: 1-ethyl-3-(4-isopropylphenyl)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-ethyl-7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione IUPAC Name: 1-ethyl-7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione Traditional Name: 1-ethyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-p-cumenyl-xanthine Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)OC)N(C1=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)OC)N(C1=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H26N4O4/c1-5-28-24(31)22-23(29(25(28)32)19-11-9-17(10-12-19)16(2)3)26-15-27(22)14-21(30)18-7-6-8-20(13-18)33-4/h6-13,15-16H,5,14H2,1-4H3