3-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-8-methylol-7-propyl-xanthine Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCC4=CC=CC=C43)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCC4=CC=CC=C43)N(C(=N2)CO)CCC

InChI

InChI=1S/C24H31N5O4/c1-3-5-13-28-22-21(27(12-4-2)19(16-30)25-22)23(32)29(24(28)33)15-20(31)26-14-8-10-17-9-6-7-11-18(17)26/h6-7,9,11,30H,3-5,8,10,12-16H2,1-2H3