5-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]pyrimidine-2,4,6-triamine

Systemtic Name: 5-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]pyrimidine-2,4,6-triamine Openeye Name: 5-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]pyrimidine-2,4,6-triamine CAS Name: 5-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]pyrimidine-2,4,6-triamine IUPAC Name: 5-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]pyrimidine-2,4,6-triamine Traditional Name: [2,6-diamino-5-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]pyrimidin-4-yl]amine Formula: C15H20N6O5 MolecularWeight: 364.3565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])C2=C(N=C(N=C2N)N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])C2=C(N=C(N=C2N)N)N

InChI

InChI=1S/C15H20N6O5/c1-24-9-4-7(5-10(25-2)12(9)26-3)8(6-21(22)23)11-13(16)19-15(18)20-14(11)17/h4-5,8H,6H2,1-3H3,(H6,16,17,18,19,20)