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

Systemtic Name: 3-[[6-(2,2-dimethylpropylamino)-5-nitro-pyrimidin-4-yl]amino]-N-methoxy-4-methyl-benzamide Openeye Name: 3-[[6-(2,2-dimethylpropylamino)-5-nitro-pyrimidin-4-yl]amino]-N-methoxy-4-methyl-benzamide CAS Name: 3-[[6-(2,2-dimethylpropylamino)-5-nitro-4-pyrimidinyl]amino]-N-methoxy-4-methylbenzamide IUPAC Name: 3-[[6-(2,2-dimethylpropylamino)-5-nitropyrimidin-4-yl]amino]-N-methoxy-4-methylbenzamide Traditional Name: N-methoxy-4-methyl-3-[[6-(neopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzamide Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4/c1-11-6-7-12(17(25)23-28-5)8-13(11)22-16-14(24(26)27)15(20-10-21-16)19-9-18(2,3)4/h6-8,10H,9H2,1-5H3,(H,23,25)(H2,19,20,21,22)