N-[4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O3/c1-12(26)23-14-4-6-15(7-5-14)24-18-16(25(27)28)17(21-11-22-18)20-10-13-3-2-8-19-9-13/h2-9,11H,10H2,1H3,(H,23,26)(H2,20,21,22,24)