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

Systemtic Name: 4-[[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-nitro-phenyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-N-methyl-2-nitro-anilino]methyl]-N-methyl-benzamide CAS Name: 4-[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)-N-methyl-2-nitroanilino]methyl]-N-methylbenzamide IUPAC Name: 4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)-N-methyl-2-nitroanilino]methyl]-N-methylbenzamide Traditional Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-N-methyl-2-nitro-anilino]methyl]-N-methyl-benzamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)C(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O3/c1-4-16-19(20(23)27-22(24)26-16)15-9-10-17(18(11-15)29(31)32)28(3)12-13-5-7-14(8-6-13)21(30)25-2/h5-11H,4,12H2,1-3H3,(H,25,30)(H4,23,24,26,27)