1-[3-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3/c1-3-7-16-14-13(20(22)23)15(18-9-17-14)19-12-6-4-5-11(8-12)10(2)21/h3-6,8-9H,1,7H2,2H3,(H2,16,17,18,19)