methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(4-piperidinoanilino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C20H24N4O4S/c1-28-19(27)12-15-11-17(25)23-20(22-15)29-13-18(26)21-14-5-7-16(8-6-14)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,21,26)(H,22,23,25)