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

Systemtic Name: 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-ethylphenyl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-ethylphenyl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3CC(C)C

InChI

InChI=1S/C20H26N4O3/c1-5-14-6-8-15(9-7-14)17-21-18-16(23(17)10-11-27-4)19(25)22-20(26)24(18)12-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,22,25,26)