ethyl 4-azanyl-5-methyl-2-[2-(2-methylindol-1-yl)ethanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[2-(2-methylindol-1-yl)ethanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[2-(2-methylindol-1-yl)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[2-(2-methyl-1-indolyl)-1-oxoethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[[2-(2-methylindol-1-yl)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[[2-(2-methylindol-1-yl)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CN3C(=CC4=CC=CC=C43)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CN3C(=CC4=CC=CC=C43)C)N)C

InChI

InChI=1S/C22H22N4O4S/c1-4-29-22(28)19-13(3)18-20(23)24-16(25-21(18)31-19)11-30-17(27)10-26-12(2)9-14-7-5-6-8-15(14)26/h5-9H,4,10-11H2,1-3H3,(H2,23,24,25)