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

Systemtic Name: 5-[3-(butylamino)-4-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-(butylamino)-4-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[3-(butylamino)-4-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[3-(butylamino)-4-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: butyl-[5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]amine Formula: C16H22N6O2 MolecularWeight: 330.38488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=CC(=C1)C2=C(N=C(N=C2N)N)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=CC(=C1)C2=C(N=C(N=C2N)N)CC)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O2/c1-3-5-8-19-12-9-10(6-7-13(12)22(23)24)14-11(4-2)20-16(18)21-15(14)17/h6-7,9,19H,3-5,8H2,1-2H3,(H4,17,18,20,21)