3-[[6-(2,2-dimethylpropylamino)-5-nitro-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[[6-(2,2-dimethylpropylamino)-5-nitro-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[6-(2,2-dimethylpropylamino)-5-nitro-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[6-(2,2-dimethylpropylamino)-5-nitro-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[6-(2,2-dimethylpropylamino)-5-nitropyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: N,4-dimethyl-3-[[6-(neopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzamide Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC=N2)NCC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC=N2)NCC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-11-6-7-12(17(25)19-5)8-13(11)23-16-14(24(26)27)15(21-10-22-16)20-9-18(2,3)4/h6-8,10H,9H2,1-5H3,(H,19,25)(H2,20,21,22,23)