3-butyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 3-butyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]-7-isopentyl-purine-2,6-dione CAS Name: 3-butyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-butyl-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]-7-isoamyl-xanthine Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC4=C(C=C3)OCCCO4)N(C=N2)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC4=C(C=C3)OCCCO4)N(C=N2)CCC(C)C

InChI

InChI=1S/C25H32N4O5/c1-4-5-10-28-23-22(27(16-26-23)11-9-17(2)3)24(31)29(25(28)32)15-19(30)18-7-8-20-21(14-18)34-13-6-12-33-20/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3