6-ethyl-5-[3-nitro-4-[(2,4,6-trimethoxyphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[3-nitro-4-[(2,4,6-trimethoxyphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[3-nitro-4-[(2,4,6-trimethoxyphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-nitro-4-[(2,4,6-trimethoxyphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[3-nitro-4-[(2,4,6-trimethoxyphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-(2,4,6-trimethoxybenzyl)amine Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=C(C=C(C=C3OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=C(C=C(C=C3OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O5/c1-5-15-20(21(23)27-22(24)26-15)12-6-7-16(17(8-12)28(29)30)25-11-14-18(32-3)9-13(31-2)10-19(14)33-4/h6-10,25H,5,11H2,1-4H3,(H4,23,24,26,27)