8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-tert-butylphenyl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-tert-butylphenyl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)CCOC

InChI

InChI=1S/C22H30N4O3/c1-14(2)13-26-19-17(20(27)24-21(26)28)25(11-12-29-6)18(23-19)15-7-9-16(10-8-15)22(3,4)5/h7-10,14H,11-13H2,1-6H3,(H,24,27,28)