ethyl 4-[(2-methoxy-2-oxidanylidene-ethyl)-methyl-amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(2-methoxy-2-oxidanylidene-ethyl)-methyl-amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(2-methoxy-2-oxo-ethyl)-methyl-amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(2-methoxy-2-oxoethyl)-methylamino]-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(2-keto-2-methoxy-ethyl)-methyl-amino]-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N(C)CC(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N(C)CC(=O)OC)C

InChI

InChI=1S/C21H23N3O4S2/c1-5-28-21(26)18-13(2)17-19(24(3)11-16(25)27-4)22-15(23-20(17)30-18)12-29-14-9-7-6-8-10-14/h6-10H,5,11-12H2,1-4H3