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

Systemtic Name: 4-[[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-nitro-phenyl]amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-anilino]methyl]-N-methyl-benzamide CAS Name: 4-[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2-nitroanilino]methyl]-N-methylbenzamide IUPAC Name: 4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-nitroanilino]methyl]-N-methylbenzamide Traditional Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-anilino]methyl]-N-methyl-benzamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O3/c1-3-15-18(19(22)27-21(23)26-15)14-8-9-16(17(10-14)28(30)31)25-11-12-4-6-13(7-5-12)20(29)24-2/h4-10,25H,3,11H2,1-2H3,(H,24,29)(H4,22,23,26,27)