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

Systemtic Name: 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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