5-[3-(2-chloranyl-4-nitro-phenoxy)propyl]pyrimidine-2,4,6-triamine

Systemtic Name: 5-[3-(2-chloranyl-4-nitro-phenoxy)propyl]pyrimidine-2,4,6-triamine Openeye Name: 5-[3-(2-chloro-4-nitro-phenoxy)propyl]pyrimidine-2,4,6-triamine CAS Name: 5-[3-(2-chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine IUPAC Name: 5-[3-(2-chloro-4-nitrophenoxy)propyl]pyrimidine-2,4,6-triamine Traditional Name: [2,6-diamino-5-[3-(2-chloro-4-nitro-phenoxy)propyl]pyrimidin-4-yl]amine Formula: C13H15ClN6O3 MolecularWeight: 338.7496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCCCC2=C(N=C(N=C2N)N)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCCCC2=C(N=C(N=C2N)N)N

InChI

InChI=1S/C13H15ClN6O3/c14-9-6-7(20(21)22)3-4-10(9)23-5-1-2-8-11(15)18-13(17)19-12(8)16/h3-4,6H,1-2,5H2,(H6,15,16,17,18,19)