(5R,5aS)-5-(1,3-benzodioxol-5-yl)-2-propan-2-ylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5R,5aS)-5-(1,3-benzodioxol-5-yl)-2-propan-2-ylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-5-(1,3-benzodioxol-5-yl)-2-isopropylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-5-(1,3-benzodioxol-5-yl)-2-(propan-2-ylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-5-(1,3-benzodioxol-5-yl)-2-propan-2-ylsulfanyl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-5-(1,3-benzodioxol-5-yl)-2-(isopropylthio)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)SC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O4S/c1-10(2)29-21-23-19-18(20(26)24-21)16(17-12(22-19)4-3-5-13(17)25)11-6-7-14-15(8-11)28-9-27-14/h4,6-8,10,16-17H,3,5,9H2,1-2H3,(H2,22,23,24,26)/t16-,17-/m0/s1