1-(2-ethoxyethyl)-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 1-(2-ethoxyethyl)-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 1-(2-ethoxyethyl)-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 1-(2-ethoxyethyl)-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 1-(2-ethoxyethyl)-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 1-(2-ethoxyethyl)-7-p-anisyl-3-propyl-xanthine Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCOCC)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCOCC)N(C=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N4O4/c1-4-10-23-18-17(19(25)24(20(23)26)11-12-28-5-2)22(14-21-18)13-15-6-8-16(27-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3