ethyl 5-methyl-2-(naphthalen-2-ylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-(naphthalen-2-ylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(2-naphthylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(2-naphthalenylthio)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(naphthalen-2-ylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(2-naphthylthio)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H18N2O3S2/c1-3-26-21(25)18-12(2)17-19(24)22-16(23-20(17)28-18)11-27-15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3,(H,22,23,24)