3,7-dibutyl-8-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]purine-2,6-dione

Systemtic Name: 3,7-dibutyl-8-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-8-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]purine-2,6-dione CAS Name: 3,7-dibutyl-8-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-8-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-8-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]xanthine Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H33N5O3/c1-3-5-14-29-20(26-23-22(29)24(32)27-25(33)30(23)15-6-4-2)11-12-21(31)28-16-13-18-9-7-8-10-19(18)17-28/h7-10H,3-6,11-17H2,1-2H3,(H,27,32,33)