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

Systemtic Name: N-[4-[[6-[(4-acetamidophenyl)amino]-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-acetamidoanilino)-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(4-acetamidoanilino)-2-methyl-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-acetamidoanilino)-2-methyl-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-acetamidoanilino)-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C21H21N7O4 MolecularWeight: 435.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=NC(=C(C(=N1)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H21N7O4/c1-12-22-20(26-17-8-4-15(5-9-17)24-13(2)29)19(28(31)32)21(23-12)27-18-10-6-16(7-11-18)25-14(3)30/h4-11H,1-3H3,(H,24,29)(H,25,30)(H2,22,23,26,27)