(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H16N4O3S/c1-13-5-4-8-24-18(25)9-14(22-20(13)24)11-27-19(26)12-28-17-10-21-15-6-2-3-7-16(15)23-17/h2-10H,11-12H2,1H3