1-[4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C15H17N5O3/c1-9(2)18-14-13(20(22)23)15(17-8-16-14)19-12-6-4-11(5-7-12)10(3)21/h4-9H,1-3H3,(H2,16,17,18,19)