(5S)-4-azanyl-2-ethylsulfanyl-8,8-dimethyl-5-thiophen-2-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

Systemtic Name: (5S)-4-azanyl-2-ethylsulfanyl-8,8-dimethyl-5-thiophen-2-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Openeye Name: (5S)-4-amino-2-ethylsulfanyl-8,8-dimethyl-5-(2-thienyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one CAS Name: (5S)-4-amino-2-(ethylthio)-8,8-dimethyl-5-thiophen-2-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one IUPAC Name: (5S)-4-amino-2-ethylsulfanyl-8,8-dimethyl-5-thiophen-2-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Traditional Name: (5S)-4-amino-2-(ethylthio)-8,8-dimethyl-5-(2-thienyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Formula: C19H22N4OS2 MolecularWeight: 386.53418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CS4)C(=N1)N

Isomeric SMILES

CCSC1=NC2=C([C@@H](C3=C(N2)CC(CC3=O)(C)C)C4=CC=CS4)C(=N1)N

InChI

InChI=1S/C19H22N4OS2/c1-4-25-18-22-16(20)15-14(12-6-5-7-26-12)13-10(21-17(15)23-18)8-19(2,3)9-11(13)24/h5-7,14H,4,8-9H2,1-3H3,(H3,20,21,22,23)/t14-/m1/s1