ethyl 4-[[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-nitro-6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-nitro-6-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-nitro-6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H25N7O4 MolecularWeight: 415.4463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O4/c1-2-30-19(27)25-10-6-15(7-11-25)24-18-16(26(28)29)17(22-13-23-18)21-9-5-14-4-3-8-20-12-14/h3-4,8,12-13,15H,2,5-7,9-11H2,1H3,(H2,21,22,23,24)