5-(3-hydroxyphenyl)-8,8-dimethyl-2-propan-2-ylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(3-hydroxyphenyl)-8,8-dimethyl-2-propan-2-ylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(3-hydroxyphenyl)-2-isopropylsulfanyl-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(3-hydroxyphenyl)-8,8-dimethyl-2-(propan-2-ylthio)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(3-hydroxyphenyl)-8,8-dimethyl-2-propan-2-ylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(3-hydroxyphenyl)-2-(isopropylthio)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)O)C(=O)CC(C3)(C)C

Isomeric SMILES

CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)O)C(=O)CC(C3)(C)C

InChI

InChI=1S/C22H25N3O3S/c1-11(2)29-21-24-19-18(20(28)25-21)16(12-6-5-7-13(26)8-12)17-14(23-19)9-22(3,4)10-15(17)27/h5-8,11,16,26H,9-10H2,1-4H3,(H2,23,24,25,28)