N-[4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanamide

Systemtic Name: N-[4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanamide Openeye Name: N-[4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide Traditional Name: N-[4-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]phenyl]acetamide Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C16H18N6O3/c1-11(23)19-12-4-6-13(7-5-12)20-15-14(22(24)25)16(18-10-17-15)21-8-2-3-9-21/h4-7,10H,2-3,8-9H2,1H3,(H,19,23)(H,17,18,20)