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

Systemtic Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(4-tert-butylphenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)CCOC

InChI

InChI=1S/C21H28N4O3/c1-6-11-25-18-16(19(26)23-20(25)27)24(12-13-28-5)17(22-18)14-7-9-15(10-8-14)21(2,3)4/h7-10H,6,11-13H2,1-5H3,(H,23,26,27)