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

Systemtic Name: 7-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C20H23N5O3/c1-22-18-17(19(27)23(2)20(22)28)24(13-21-18)11-6-10-16(26)25-12-5-8-14-7-3-4-9-15(14)25/h3-4,7,9,13H,5-6,8,10-12H2,1-2H3