5-(3-azido-4-chloranyl-phenyl)-6-ethyl-pyrimidine-2,4-diamine; ethanesulfonic acid

Systemtic Name: 5-(3-azido-4-chloranyl-phenyl)-6-ethyl-pyrimidine-2,4-diamine; ethanesulfonic acid Openeye Name: 5-(3-azido-4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine; ethanesulfonic acid CAS Name: 5-(3-azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; ethanesulfonic acid IUPAC Name: 5-(3-azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; ethanesulfonic acid Traditional Name: [2-amino-5-(3-azido-4-chloro-phenyl)-6-ethyl-pyrimidin-4-yl]amine; esylic acid Formula: C14H18ClN7O3S MolecularWeight: 399.85582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN7.C2H6O3S/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-20-16;1-2-6(3,4)5/h3-5H,2H2,1H3,(H4,14,15,17,18);2H2,1H3,(H,3,4,5)