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

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-piperonyloylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H22N4O5S/c1-3-29-22(28)18-13(2)17-19(23-11-24-20(17)32-18)25-6-8-26(9-7-25)21(27)14-4-5-15-16(10-14)31-12-30-15/h4-5,10-11H,3,6-9,12H2,1-2H3