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

Systemtic Name: N-[4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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