4-[[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-nitro-phenyl]amino]methyl]benzamide

Systemtic Name: 4-[[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-nitro-phenyl]amino]methyl]benzamide Openeye Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-anilino]methyl]benzamide CAS Name: 4-[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2-nitroanilino]methyl]benzamide IUPAC Name: 4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-nitroanilino]methyl]benzamide Traditional Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-anilino]methyl]benzamide Formula: C20H21N7O3 MolecularWeight: 407.42584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O3/c1-2-14-17(18(21)26-20(23)25-14)13-7-8-15(16(9-13)27(29)30)24-10-11-3-5-12(6-4-11)19(22)28/h3-9,24H,2,10H2,1H3,(H2,22,28)(H4,21,23,25,26)