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

Systemtic Name: 5-[4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-[(3,4-dimethoxyphenyl)methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[(3,4-dimethoxyphenyl)methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-veratryl-amine Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4/c1-4-14-19(20(22)26-21(23)25-14)13-6-7-15(16(10-13)27(28)29)24-11-12-5-8-17(30-2)18(9-12)31-3/h5-10,24H,4,11H2,1-3H3,(H4,22,23,25,26)