7-(2-methoxyethyl)-8-[4-(3-methylbutoxy)phenyl]-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-[4-(3-methylbutoxy)phenyl]-3-propyl-purine-2,6-dione Openeye Name: 8-(4-isopentyloxyphenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-[4-(3-methylbutoxy)phenyl]-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-[4-(3-methylbutoxy)phenyl]-3-propylpurine-2,6-dione Traditional Name: 8-(4-isoamoxyphenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-5-11-26-20-18(21(27)24-22(26)28)25(12-14-29-4)19(23-20)16-6-8-17(9-7-16)30-13-10-15(2)3/h6-9,15H,5,10-14H2,1-4H3,(H,24,27,28)