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

Systemtic Name: ethyl 1-(naphthalen-1-ylmethyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-(1-naphthylmethyl)-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(1-naphthalenylmethyl)-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-(naphthalen-1-ylmethyl)-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-(1-naphthylmethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=CC3=CC=CC=C32)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=CC3=CC=CC=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-2-30-24(29)22-15-26-25(31-17-18-9-4-3-5-10-18)27(23(22)28)16-20-13-8-12-19-11-6-7-14-21(19)20/h3-15H,2,16-17H2,1H3