N4-(4-ethoxyphenyl)-N2-(2-methylpropyl)-5-nitro-pyrimidine-2,4,6-triamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(C)C

InChI

InChI=1S/C16H22N6O3/c1-4-25-12-7-5-11(6-8-12)19-15-13(22(23)24)14(17)20-16(21-15)18-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H4,17,18,19,20,21)