(5R,5aS)-2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5R,5aS)-2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-allylsulfanyl-5-(3-pyridyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-2-(prop-2-enylthio)-5-(3-pyridinyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-2-prop-2-enylsulfanyl-5-pyridin-3-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(allylthio)-5-(3-pyridyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S/c1-2-9-26-19-22-17-16(18(25)23-19)14(11-5-4-8-20-10-11)15-12(21-17)6-3-7-13(15)24/h2,4-6,8,10,14-15H,1,3,7,9H2,(H2,21,22,23,25)/t14-,15-/m0/s1