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

Systemtic Name: N2-[(2S)-butan-2-yl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-ethoxyphenyl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(2S)-butan-2-yl]-N4-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[[(1S)-1-methylpropyl]amino]-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3/c1-4-10(3)18-16-20-14(17)13(22(23)24)15(21-16)19-11-6-8-12(9-7-11)25-5-2/h6-10H,4-5H2,1-3H3,(H4,17,18,19,20,21)/t10-/m0/s1