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

Systemtic Name: ethyl 2,5-dimethyl-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[(4-oxo-1H-quinazolin-2-yl)methylthio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(4-keto-1H-quinazolin-2-yl)methylthio]-2,5-dimethyl-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(N=C2SCC3=NC(=O)C4=CC=CC=C4N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC3=NC(=O)C4=CC=CC=C4N3)C)C

InChI

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