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

Systemtic Name: 5-[4-[(4-chlorophenyl)methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-chlorophenyl)methylamino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-chlorophenyl)methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-chlorophenyl)methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: (4-chlorobenzyl)-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]amine Formula: C19H19ClN6O2 MolecularWeight: 398.84616

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN6O2/c1-2-14-17(18(21)25-19(22)24-14)12-5-8-15(16(9-12)26(27)28)23-10-11-3-6-13(20)7-4-11/h3-9,23H,2,10H2,1H3,(H4,21,22,24,25)