ethyl 1-[5-methyl-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-methyl-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-methyl-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-methyl-4-[(3-nitrophenyl)methylamino]-2-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-methyl-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-methyl-4-[(3-nitrobenzyl)amino]thieno[2,3-d]pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=C3C(=CSC3=N2)C)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=C3C(=CSC3=N2)C)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c1-3-31-21(28)16-7-9-26(10-8-16)22-24-19(18-14(2)13-32-20(18)25-22)23-12-15-5-4-6-17(11-15)27(29)30/h4-6,11,13,16H,3,7-10,12H2,1-2H3,(H,23,24,25)