(5R,5aS)-5-(3-methoxy-4-oxidanyl-phenyl)-2-propylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5R,5aS)-5-(3-methoxy-4-oxidanyl-phenyl)-2-propylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-5-(4-hydroxy-3-methoxy-phenyl)-2-propylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-5-(4-hydroxy-3-methoxyphenyl)-2-(propylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-5-(4-hydroxy-3-methoxyphenyl)-2-propylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-5-(4-hydroxy-3-methoxy-phenyl)-2-(propylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC(=C(C=C4)O)OC

Isomeric SMILES

CCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C21H23N3O4S/c1-3-9-29-21-23-19-18(20(27)24-21)16(11-7-8-13(25)15(10-11)28-2)17-12(22-19)5-4-6-14(17)26/h5,7-8,10,16-17,25H,3-4,6,9H2,1-2H3,(H2,22,23,24,27)/t16-,17-/m0/s1