N2-[(2S)-butan-2-yl]-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(2S)-butan-2-yl]-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(2S)-butan-2-yl]-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-[(1S)-1-methylpropyl]amine Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N

InChI

InChI=1S/C16H22N6O4/c1-5-9(2)18-16-20-14(17)13(22(23)24)15(21-16)19-11-8-10(25-3)6-7-12(11)26-4/h6-9H,5H2,1-4H3,(H4,17,18,19,20,21)/t9-/m0/s1