1,3,7-trimethyl-8-(4-methyl-2-propan-2-yl-phenoxy)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(4-methyl-2-propan-2-yl-phenoxy)purine-2,6-dione Openeye Name: 8-(2-isopropyl-4-methyl-phenoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(4-methyl-2-propan-2-ylphenoxy)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(4-methyl-2-propan-2-ylphenoxy)purine-2,6-dione Traditional Name: 8-(2-isopropyl-4-methyl-phenoxy)-1,3,7-trimethyl-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C(C)C

InChI

InChI=1S/C18H22N4O3/c1-10(2)12-9-11(3)7-8-13(12)25-17-19-15-14(20(17)4)16(23)22(6)18(24)21(15)5/h7-10H,1-6H3