N-[4-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C17H16N6O4 MolecularWeight: 368.34674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4/c1-11(24)21-12-4-6-13(7-5-12)22-17-15(23(25)26)16(19-10-20-17)18-9-14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,21,24)(H2,18,19,20,22)