ethyl 4-[4-oxidanylidene-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoate

Systemtic Name: ethyl 4-[4-oxidanylidene-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoate Openeye Name: ethyl 4-[2-benzylsulfanyl-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoate CAS Name: 4-[4-oxo-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-benzylsulfanyl-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]butanoate Traditional Name: 4-[2-(benzylthio)-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]butyric acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

InChI

InChI=1S/C22H24N4O3S/c1-2-29-20(27)9-6-10-26-14-19(11-18-12-23-16-24-13-18)21(28)25-22(26)30-15-17-7-4-3-5-8-17/h3-5,7-8,12-14,16H,2,6,9-11,15H2,1H3