8-(2-azanylethoxy)-3-ethyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethoxy)-3-ethyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-(2-aminoethoxy)-3-ethyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-(2-aminoethoxy)-3-ethyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-(2-aminoethoxy)-3-ethyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-(2-aminoethoxy)-3-ethyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)OCCN)CC=C(C)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)OCCN)CC=C(C)C

InChI

InChI=1S/C22H27N5O4/c1-4-25-19-18(26(12-10-15(2)3)21(24-19)31-13-11-23)20(29)27(22(25)30)14-17(28)16-8-6-5-7-9-16/h5-10H,4,11-14,23H2,1-3H3