N-[4-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O3/c1-14(27)23-15-5-7-16(8-6-15)24-19-17(26(28)29)18(21-13-22-19)20-9-12-25-10-3-2-4-11-25/h5-8,13H,2-4,9-12H2,1H3,(H,23,27)(H2,20,21,22,24)