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

Systemtic Name: 5-[4-[(3,4-dichlorophenyl)methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-[(3,4-dichlorophenyl)methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-[(3,4-dichlorophenyl)methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[(3,4-dichlorophenyl)methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-(3,4-dichlorobenzyl)amine Formula: C19H18Cl2N6O2 MolecularWeight: 433.29122

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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)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N6O2/c1-2-14-17(18(22)26-19(23)25-14)11-4-6-15(16(8-11)27(28)29)24-9-10-3-5-12(20)13(21)7-10/h3-8,24H,2,9H2,1H3,(H4,22,23,25,26)