N4-ethyl-N6-(3-methoxypropyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N6-(3-methoxypropyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(3-methoxypropyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-(3-methoxypropyl)-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(3-methoxypropyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCCOC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCCOC

InChI

InChI=1S/C17H23N5O3/c1-4-21(14-8-5-7-13(2)11-14)17-15(22(23)24)16(19-12-20-17)18-9-6-10-25-3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,18,19,20)