N-[4-[[6-[(2-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[(2-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-[(2-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[(2-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C19H17ClN6O3 MolecularWeight: 412.82968

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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=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN6O3/c1-12(27)24-14-6-8-15(9-7-14)25-19-17(26(28)29)18(22-11-23-19)21-10-13-4-2-3-5-16(13)20/h2-9,11H,10H2,1H3,(H,24,27)(H2,21,22,23,25)