5-(4-ethoxyphenyl)-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(4-ethoxyphenyl)-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-ethoxyphenyl)-2-isopropylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-ethoxyphenyl)-2-(propan-2-ylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-ethoxyphenyl)-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(isopropylthio)-5-p-phenetyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SC(C)C

InChI

InChI=1S/C22H25N3O3S/c1-4-28-14-10-8-13(9-11-14)17-18-15(6-5-7-16(18)26)23-20-19(17)21(27)25-22(24-20)29-12(2)3/h8-12,17H,4-7H2,1-3H3,(H2,23,24,25,27)