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

Systemtic Name: N-[4-[[4-[(4-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]acetamide CAS Name: N-[4-[[4-(4-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[4-methyl-5-nitro-6-(p-anisidino)pyrimidin-2-yl]amino]phenyl]acetamide Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O4/c1-12-18(26(28)29)19(23-15-8-10-17(30-3)11-9-15)25-20(21-12)24-16-6-4-14(5-7-16)22-13(2)27/h4-11H,1-3H3,(H,22,27)(H2,21,23,24,25)