(5R,5aS)-5-(4-dimethylaminophenyl)-2-propan-2-ylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5R,5aS)-5-(4-dimethylaminophenyl)-2-propan-2-ylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-5-(4-dimethylaminophenyl)-2-isopropylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-5-(4-dimethylaminophenyl)-2-(propan-2-ylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-5-(4-dimethylaminophenyl)-2-propan-2-ylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-5-(4-dimethylaminophenyl)-2-(isopropylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC(C)SC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H26N4O2S/c1-12(2)29-22-24-20-19(21(28)25-22)17(13-8-10-14(11-9-13)26(3)4)18-15(23-20)6-5-7-16(18)27/h6,8-12,17-18H,5,7H2,1-4H3,(H2,23,24,25,28)/t17-,18-/m0/s1