1-[2-(4-ethoxyphenoxy)ethyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-isopentyl-purine-2,6-dione CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-isoamyl-xanthine Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CCC(C)C)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CCC(C)C)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-4-34-22-10-12-23(13-11-22)35-17-16-30-26(32)24-25(28-19-29(24)15-14-20(2)3)31(27(30)33)18-21-8-6-5-7-9-21/h5-13,19-20H,4,14-18H2,1-3H3