5-(3-azanyl-4-chloranyl-5-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-(3-azanyl-4-chloranyl-5-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-(3-amino-4-chloro-5-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3-amino-4-chloro-5-nitro-phenyl)-6-ethyl-pyrimidin-4-yl]amine Formula: C12H13ClN6O2 MolecularWeight: 308.72362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN6O2/c1-2-7-9(11(15)18-12(16)17-7)5-3-6(14)10(13)8(4-5)19(20)21/h3-4H,2,14H2,1H3,(H4,15,16,17,18)