1-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione Openeye Name: 3-(4-isopropylphenyl)-1-(2-phenoxyethyl)-7H-purine-2,6-dione CAS Name: 1-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione IUPAC Name: 1-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)-7H-purine-2,6-dione Traditional Name: 3-p-cumenyl-1-(2-phenoxyethyl)-7H-purine-2,6-quinone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCOC4=CC=CC=C4)NC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCOC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C22H22N4O3/c1-15(2)16-8-10-17(11-9-16)26-20-19(23-14-24-20)21(27)25(22(26)28)12-13-29-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)