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

Systemtic Name: ethyl 4-azanyl-2-[3-(1H-indol-3-yl)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[3-(1H-indol-3-yl)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[3-(1H-indol-3-yl)-1-oxopropoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(1H-indol-3-yl)propanoyloxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[3-(1H-indol-3-yl)propanoyloxymethyl]-5-methyl-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)CCC3=CNC4=CC=CC=C43)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCC3=CNC4=CC=CC=C43)N)C

InChI

InChI=1S/C22H22N4O4S/c1-3-29-22(28)19-12(2)18-20(23)25-16(26-21(18)31-19)11-30-17(27)9-8-13-10-24-15-7-5-4-6-14(13)15/h4-7,10,24H,3,8-9,11H2,1-2H3,(H2,23,25,26)