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

Systemtic Name: 7-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-21-17-16(18(26)22(2)19(21)27)23(12-20-17)11-9-15(25)24-10-5-7-13-6-3-4-8-14(13)24/h3-4,6,8,12H,5,7,9-11H2,1-2H3