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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H21N5O3/c1-12(17(25)23-10-6-8-13-7-4-5-9-14(13)23)24-11-20-16-15(24)18(26)22(3)19(27)21(16)2/h4-5,7,9,11-12H,6,8,10H2,1-3H3