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

Systemtic Name: N-[4-[[6-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C20H19N7O4 MolecularWeight: 421.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O4/c1-12(28)23-14-3-7-16(8-4-14)25-19-18(27(30)31)20(22-11-21-19)26-17-9-5-15(6-10-17)24-13(2)29/h3-11H,1-2H3,(H,23,28)(H,24,29)(H2,21,22,25,26)