ethyl 5-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-[(E)-cinnamyl]piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-[(E)-cinnamyl]piperazino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O2S/c1-3-29-23(28)20-17(2)19-21(24-16-25-22(19)30-20)27-14-12-26(13-15-27)11-7-10-18-8-5-4-6-9-18/h4-10,16H,3,11-15H2,1-2H3/b10-7+