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

Systemtic Name: (5R,5aS)-5-(4-methoxyphenyl)-2-propan-2-ylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-isopropylsulfanyl-5-(4-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-5-(4-methoxyphenyl)-2-(propan-2-ylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-5-(4-methoxyphenyl)-2-propan-2-ylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(isopropylthio)-5-(4-methoxyphenyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H23N3O3S MolecularWeight: 397.49062

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-11(2)28-21-23-19-18(20(26)24-21)16(12-7-9-13(27-3)10-8-12)17-14(22-19)5-4-6-15(17)25/h5,7-11,16-17H,4,6H2,1-3H3,(H2,22,23,24,26)/t16-,17-/m0/s1