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

Systemtic Name: 5-(2-nitrophenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(2-nitrophenyl)-2-(prop-2-enylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(2-nitrophenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c1-2-10-29-20-22-18-17(19(26)23-20)15(11-6-3-4-8-13(11)24(27)28)16-12(21-18)7-5-9-14(16)25/h2-4,6,8,15H,1,5,7,9-10H2,(H2,21,22,23,26)