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

Systemtic Name: 1-[3-[[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(benzylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O3/c1-13(25)15-8-5-9-16(10-15)23-19-17(24(26)27)18(21-12-22-19)20-11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H2,20,21,22,23)