ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-2-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methylthieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=C3C=C(SC3=N2)C)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=C3C=C(SC3=N2)C)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O4S/c1-3-29-22(28)16-6-8-27(9-7-16)23-25-20(17-10-14(2)32-21(17)26-23)24-12-15-4-5-18-19(11-15)31-13-30-18/h4-5,10-11,16H,3,6-9,12-13H2,1-2H3,(H,24,25,26)