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

Systemtic Name: (5R,5aS)-2-butylsulfanyl-5-(4-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-butylsulfanyl-5-(4-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-2-(butylthio)-5-(4-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-2-butylsulfanyl-5-(4-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(butylthio)-5-(4-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O3S/c1-3-4-12-29-22-24-20-19(21(27)25-22)17(13-8-10-14(28-2)11-9-13)18-15(23-20)6-5-7-16(18)26/h6,8-11,17-18H,3-5,7,12H2,1-2H3,(H2,23,24,25,27)/t17-,18-/m0/s1