1-[3-[[4-[(4-ethoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[4-[(4-ethoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[4-(4-ethoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[4-(4-ethoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[4-(4-ethoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[4-methyl-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amino]phenyl]ethanone Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H21N5O4/c1-4-30-18-10-8-16(9-11-18)23-20-19(26(28)29)13(2)22-21(25-20)24-17-7-5-6-15(12-17)14(3)27/h5-12H,4H2,1-3H3,(H2,22,23,24,25)