1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-3,7-dibutyl-purine-2,6-dione

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-3,7-dibutyl-purine-2,6-dione Openeye Name: 3,7-dibutyl-1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]purine-2,6-dione CAS Name: 3,7-dibutyl-1-[2-(1,3-dioxo-2-isoindolyl)ethyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-1-(2-phthalimidoethyl)xanthine Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H27N5O4/c1-3-5-11-25-15-24-19-18(25)22(31)28(23(32)26(19)12-6-4-2)14-13-27-20(29)16-9-7-8-10-17(16)21(27)30/h7-10,15H,3-6,11-14H2,1-2H3