ethyl 6-methyl-2-oxidanylidene-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-oxidanylidene-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H24N4O4S/c1-3-28-19(26)17-14(2)21-20(27)22-18(17)29-13-16(25)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,21,22,27)