8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-7-isopropyl-1,3-dimethyl-xanthine Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)N3CCCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)N3CCCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H25N5O3S/c1-13(2)26-17-18(23(3)21(29)24(4)19(17)28)22-20(26)30-12-16(27)25-11-7-9-14-8-5-6-10-15(14)25/h5-6,8,10,13H,7,9,11-12H2,1-4H3