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

Systemtic Name: N-[4-[[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-(p-tolylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[(4-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H20N6O3/c1-13-3-5-15(6-4-13)11-21-19-18(26(28)29)20(23-12-22-19)25-17-9-7-16(8-10-17)24-14(2)27/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,21,22,23,25)