1,3,7-trimethyl-8-[2-(5-methyl-2-propan-2-yl-phenoxy)ethylamino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[2-(5-methyl-2-propan-2-yl-phenoxy)ethylamino]purine-2,6-dione Openeye Name: 8-[2-(2-isopropyl-5-methyl-phenoxy)ethylamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]purine-2,6-dione Traditional Name: 8-[2-(2-isopropyl-5-methyl-phenoxy)ethylamino]-1,3,7-trimethyl-xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H27N5O3/c1-12(2)14-8-7-13(3)11-15(14)28-10-9-21-19-22-17-16(23(19)4)18(26)25(6)20(27)24(17)5/h7-8,11-12H,9-10H2,1-6H3,(H,21,22)