(5S,5aR)-1-(2-methoxyethyl)-5-(4-methylsulfanylphenyl)-5a,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione

Systemtic Name: (5S,5aR)-1-(2-methoxyethyl)-5-(4-methylsulfanylphenyl)-5a,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione Openeye Name: (5S,5aR)-1-(2-methoxyethyl)-5-(4-methylsulfanylphenyl)-5a,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione CAS Name: (5S,5aR)-1-(2-methoxyethyl)-5-[4-(methylthio)phenyl]-5a,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione IUPAC Name: (5S,5aR)-1-(2-methoxyethyl)-5-(4-methylsulfanylphenyl)-5a,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione Traditional Name: (5S,5aR)-1-(2-methoxyethyl)-5-[4-(methylthio)phenyl]-5a,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(C3C(=O)CCC=C3N2)C4=CC=C(C=C4)SC)C(=O)NC1=O

Isomeric SMILES

COCCN1C2=C([C@@H]([C@H]3C(=O)CCC=C3N2)C4=CC=C(C=C4)SC)C(=O)NC1=O

InChI

InChI=1S/C21H23N3O4S/c1-28-11-10-24-19-18(20(26)23-21(24)27)16(12-6-8-13(29-2)9-7-12)17-14(22-19)4-3-5-15(17)25/h4,6-9,16-17,22H,3,5,10-11H2,1-2H3,(H,23,26,27)/t16-,17-/m1/s1