1-[[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]diazenyl]piperidin-4-ol

Systemtic Name: 1-[[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]diazenyl]piperidin-4-ol Openeye Name: 1-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azopiperidin-4-ol CAS Name: 1-[2-chloro-5-(2,4-diamino-6-ethyl-5-pyrimidinyl)phenyl]azo-4-piperidinol IUPAC Name: 1-[[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]diazenyl]piperidin-4-ol Traditional Name: 1-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azopiperidin-4-ol Formula: C17H22ClN7O MolecularWeight: 375.85588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCC(CC3)O

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN3CCC(CC3)O

InChI

InChI=1S/C17H22ClN7O/c1-2-13-15(16(19)22-17(20)21-13)10-3-4-12(18)14(9-10)23-24-25-7-5-11(26)6-8-25/h3-4,9,11,26H,2,5-8H2,1H3,(H4,19,20,21,22)