ethyl 1-(naphthalen-1-ylmethyl)-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(naphthalen-1-ylmethyl)-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(1-naphthylmethyl)-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-(1-naphthalenylmethyl)-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(naphthalen-1-ylmethyl)-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-(1-naphthylmethyl)-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=CC3=CC=CC=C32)SCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=CC3=CC=CC=C32)SCCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-2-31-25(30)23-17-27-26(32-16-15-19-9-4-3-5-10-19)28(24(23)29)18-21-13-8-12-20-11-6-7-14-22(20)21/h3-14,17H,2,15-16,18H2,1H3