methyl 2,2-bis[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2,2-bis[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2,2-bis[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2,2-bis[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2,2-bis[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2,2-bis[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C13H14N4O4S2 MolecularWeight: 354.40466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC(C(=O)OC)SC2=NC(=O)C=C(N2)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC(C(=O)OC)SC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C13H14N4O4S2/c1-6-4-8(18)16-12(14-6)22-11(10(20)21-3)23-13-15-7(2)5-9(19)17-13/h4-5,11H,1-3H3,(H,14,16,18)(H,15,17,19)