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

Systemtic Name: 2-[[[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]diazenyl]-tert-butyl-amino]ethanol Openeye Name: 2-[tert-butyl-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-amino]ethanol CAS Name: 2-[tert-butyl-[2-chloro-5-(2,4-diamino-6-ethyl-5-pyrimidinyl)phenyl]azoamino]ethanol IUPAC Name: 2-[tert-butyl-[[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]diazenyl]amino]ethanol Traditional Name: 2-[tert-butyl-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-amino]ethanol Formula: C18H26ClN7O MolecularWeight: 391.89834

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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(CCO)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN7O/c1-5-13-15(16(20)23-17(21)22-13)11-6-7-12(19)14(10-11)24-25-26(8-9-27)18(2,3)4/h6-7,10,27H,5,8-9H2,1-4H3,(H4,20,21,22,23)