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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(4-pyrrolidinoanilino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H22N4O4S/c1-27-18(26)11-14-10-16(24)22-19(21-14)28-12-17(25)20-13-4-6-15(7-5-13)23-8-2-3-9-23/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,20,25)(H,21,22,24)