8,8-dimethyl-2-pentylsulfanyl-5-thiophen-2-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 8,8-dimethyl-2-pentylsulfanyl-5-thiophen-2-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 8,8-dimethyl-2-pentylsulfanyl-5-(2-thienyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 8,8-dimethyl-2-(pentylthio)-5-thiophen-2-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 8,8-dimethyl-2-pentylsulfanyl-5-thiophen-2-yl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(amylthio)-8,8-dimethyl-5-(2-thienyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CS4)C(=O)CC(C3)(C)C

Isomeric SMILES

CCCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CS4)C(=O)CC(C3)(C)C

InChI

InChI=1S/C22H27N3O2S2/c1-4-5-6-9-29-21-24-19-18(20(27)25-21)17(15-8-7-10-28-15)16-13(23-19)11-22(2,3)12-14(16)26/h7-8,10,17H,4-6,9,11-12H2,1-3H3,(H2,23,24,25,27)