5-[1-(4-chlorophenyl)-2-nitro-ethyl]pyrimidine-2,4,6-triamine

Systemtic Name: 5-[1-(4-chlorophenyl)-2-nitro-ethyl]pyrimidine-2,4,6-triamine Openeye Name: 5-[1-(4-chlorophenyl)-2-nitro-ethyl]pyrimidine-2,4,6-triamine CAS Name: 5-[1-(4-chlorophenyl)-2-nitroethyl]pyrimidine-2,4,6-triamine IUPAC Name: 5-[1-(4-chlorophenyl)-2-nitroethyl]pyrimidine-2,4,6-triamine Traditional Name: [2,6-diamino-5-[1-(4-chlorophenyl)-2-nitro-ethyl]pyrimidin-4-yl]amine Formula: C12H13ClN6O2 MolecularWeight: 308.72362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])C2=C(N=C(N=C2N)N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C[N+](=O)[O-])C2=C(N=C(N=C2N)N)N)Cl

InChI

InChI=1S/C12H13ClN6O2/c13-7-3-1-6(2-4-7)8(5-19(20)21)9-10(14)17-12(16)18-11(9)15/h1-4,8H,5H2,(H6,14,15,16,17,18)