(4-nitrophenyl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotic acid (4-nitrobenzyl) ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4S/c1-13-14(2)30-20-18(13)19(22-12-23-20)24-9-7-16(8-10-24)21(26)29-11-15-3-5-17(6-4-15)25(27)28/h3-6,12,16H,7-11H2,1-2H3