butyl 2-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethanoate

Systemtic Name: butyl 2-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethanoate Openeye Name: butyl 2-[[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]acetate CAS Name: 2-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]acetic acid butyl ester IUPAC Name: butyl 2-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]acetic acid butyl ester Formula: C19H25N7O4 MolecularWeight: 415.4463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCCCOC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H25N7O4/c1-2-3-12-30-16(27)13-21-18-17(26(28)29)19(23-14-22-18)25-10-8-24(9-11-25)15-6-4-5-7-20-15/h4-7,14H,2-3,8-13H2,1H3,(H,21,22,23)