1,3-dimethyl-7-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]purine-2,6-dione Openeye Name: 7-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]purine-2,6-dione Traditional Name: 7-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-1,3-dimethyl-xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C(C)C

InChI

InChI=1S/C19H24N4O3/c1-12(2)15-7-6-14(10-13(15)3)26-9-8-23-11-20-17-16(23)18(24)22(5)19(25)21(17)4/h6-7,10-12H,8-9H2,1-5H3