ethyl 1-[5-nitro-6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[isopropyl(2-thienylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[isopropyl(2-thenyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CS3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CS3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S/c1-4-29-20(26)15-7-9-23(10-8-15)18-17(25(27)28)19(22-13-21-18)24(14(2)3)12-16-6-5-11-30-16/h5-6,11,13-15H,4,7-10,12H2,1-3H3