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

Systemtic Name: N2-[(2S)-butan-2-yl]-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-methoxyphenyl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(2S)-butan-2-yl]-N4-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-4-N-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[[(1S)-1-methylpropyl]amino]-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C15H20N6O3 MolecularWeight: 332.3577

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N

InChI

InChI=1S/C15H20N6O3/c1-4-9(2)17-15-19-13(16)12(21(22)23)14(20-15)18-10-7-5-6-8-11(10)24-3/h5-9H,4H2,1-3H3,(H4,16,17,18,19,20)/t9-/m0/s1