ethyl 4-azanyl-5-methyl-2-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[3-(p-tolylsulfanyl)propanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[3-[(4-methylphenyl)thio]-1-oxopropoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[3-(p-tolylthio)propanoyloxymethyl]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)COC(=O)CCSC3=CC=C(C=C3)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCSC3=CC=C(C=C3)C)N)C

InChI

InChI=1S/C21H23N3O4S2/c1-4-27-21(26)18-13(3)17-19(22)23-15(24-20(17)30-18)11-28-16(25)9-10-29-14-7-5-12(2)6-8-14/h5-8H,4,9-11H2,1-3H3,(H2,22,23,24)