N-[3-[[2-[(3-acetamidophenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[3-[[2-[(3-acetamidophenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[3-[[2-(3-acetamidoanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[3-[[2-(3-acetamidoanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[3-[[2-(3-acetamidoanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[3-[[2-(3-acetamidoanilino)-6-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=C(C(=NC(=N1)NC2=CC(=CC=C2)NC(=O)C)NC3=CC(=CC=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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