(5S,5aS)-2-prop-2-enylsulfanyl-5-thiophen-2-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5S,5aS)-2-prop-2-enylsulfanyl-5-thiophen-2-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5S,5aS)-2-allylsulfanyl-5-(2-thienyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5S,5aS)-2-(prop-2-enylthio)-5-thiophen-2-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5S,5aS)-2-prop-2-enylsulfanyl-5-thiophen-2-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5S,5aS)-2-(allylthio)-5-(2-thienyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC=CS4

Isomeric SMILES

C=CCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC=CS4

InChI

InChI=1S/C18H17N3O2S2/c1-2-8-25-18-20-16-15(17(23)21-18)14(12-7-4-9-24-12)13-10(19-16)5-3-6-11(13)22/h2,4-5,7,9,13-14H,1,3,6,8H2,(H2,19,20,21,23)/t13-,14-/m0/s1