N4-(2,5-dimethylphenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethylphenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethylphenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethylphenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethylphenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=C(C(=NC=N2)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=C(C(=NC=N2)NCCCOC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-11-5-6-12(2)13(9-11)20-16-14(21(22)23)15(18-10-19-16)17-7-4-8-24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,19,20)