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

Systemtic Name: N4-(3-chlorophenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3-chlorophenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3-chlorophenyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-chlorophenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-(3-methoxypropyl)amine Formula: C14H17ClN6O3 MolecularWeight: 352.77618

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)Cl)[N+](=O)[O-])N

Isomeric SMILES

COCCCNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C14H17ClN6O3/c1-24-7-3-6-17-14-19-12(16)11(21(22)23)13(20-14)18-10-5-2-4-9(15)8-10/h2,4-5,8H,3,6-7H2,1H3,(H4,16,17,18,19,20)