N-[4-[[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(benzylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O3/c1-13(26)23-15-7-9-16(10-8-15)24-19-17(25(27)28)18(21-12-22-19)20-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,26)(H2,20,21,22,24)