ethyl 5-methyl-4-oxidanylidene-2-(1-quinazolin-4-ylsulfanylethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-(1-quinazolin-4-ylsulfanylethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-(1-quinazolin-4-ylsulfanylethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[1-(4-quinazolinylthio)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-(1-quinazolin-4-ylsulfanylethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[1-(quinazolin-4-ylthio)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC=NC4=CC=CC=C43)C

InChI

InChI=1S/C20H18N4O3S2/c1-4-27-20(26)15-10(2)14-17(25)23-16(24-19(14)29-15)11(3)28-18-12-7-5-6-8-13(12)21-9-22-18/h5-9,11H,4H2,1-3H3,(H,23,24,25)