1-[3-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O3/c1-13(25)14-7-6-10-16(11-14)23-19-17(24(26)27)18(20-12-21-19)22-15-8-4-2-3-5-9-15/h6-7,10-12,15H,2-5,8-9H2,1H3,(H2,20,21,22,23)