5-(6-nitro-1,3-benzodioxol-5-yl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(6-nitro-1,3-benzodioxol-5-yl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-2-(prop-2-enylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(6-nitro-1,3-benzodioxol-5-yl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)CCC3

Isomeric SMILES

C=CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)CCC3

InChI

InChI=1S/C21H18N4O6S/c1-2-6-32-21-23-19-18(20(27)24-21)16(17-11(22-19)4-3-5-13(17)26)10-7-14-15(31-9-30-14)8-12(10)25(28)29/h2,7-8,16H,1,3-6,9H2,(H2,22,23,24,27)