N4-(3,4-dimethylphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-(3-methoxypropyl)amine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCOC)C

InChI

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