ethyl 4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N4O5S/c1-3-30-21(28)25-9-7-24(8-10-25)19(27)13-16-12-18(26)23-20(22-16)31-14-15-5-4-6-17(11-15)29-2/h4-6,11-12H,3,7-10,13-14H2,1-2H3,(H,22,23,26)