methyl 2-[2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[2-(p-tolylthio)ethylamino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C18H21N3O4S2/c1-12-3-5-14(6-4-12)26-8-7-19-16(23)11-27-18-20-13(9-15(22)21-18)10-17(24)25-2/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,23)(H,20,21,22)