2-[[[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]diazenyl]-ethyl-amino]ethanol

Systemtic Name: 2-[[[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]diazenyl]-ethyl-amino]ethanol Openeye Name: 2-[[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-ethyl-amino]ethanol CAS Name: 2-[[2-chloro-5-(2,4-diamino-6-ethyl-5-pyrimidinyl)phenyl]azo-ethylamino]ethanol IUPAC Name: 2-[[[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]diazenyl]-ethylamino]ethanol Traditional Name: 2-[[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-ethyl-amino]ethanol Formula: C16H22ClN7O MolecularWeight: 363.84518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(CC)CCO

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(CC)CCO

InChI

InChI=1S/C16H22ClN7O/c1-3-12-14(15(18)21-16(19)20-12)10-5-6-11(17)13(9-10)22-23-24(4-2)7-8-25/h5-6,9,25H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)