2-[[6-(butylamino)-2-chloranyl-7-(phenylmethyl)purin-8-yl]amino]ethanol

Systemtic Name: 2-[[6-(butylamino)-2-chloranyl-7-(phenylmethyl)purin-8-yl]amino]ethanol Openeye Name: 2-[[7-benzyl-6-(butylamino)-2-chloro-purin-8-yl]amino]ethanol CAS Name: 2-[[6-(butylamino)-2-chloro-7-(phenylmethyl)-8-purinyl]amino]ethanol IUPAC Name: 2-[[7-benzyl-6-(butylamino)-2-chloropurin-8-yl]amino]ethanol Traditional Name: 2-[[7-benzyl-6-(butylamino)-2-chloro-purin-8-yl]amino]ethanol Formula: C18H23ClN6O MolecularWeight: 374.86782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N(C(=N2)NCCO)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N(C(=N2)NCCO)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H23ClN6O/c1-2-3-9-20-15-14-16(23-17(19)22-15)24-18(21-10-11-26)25(14)12-13-7-5-4-6-8-13/h4-8,26H,2-3,9-12H2,1H3,(H2,20,21,22,23,24)