6-chloranyl-9-[3-(phenylmethoxymethyl)pentyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[3-(phenylmethoxymethyl)pentyl]purin-2-amine Openeye Name: 9-[3-(benzyloxymethyl)pentyl]-6-chloro-purin-2-amine CAS Name: 6-chloro-9-[3-(phenylmethoxymethyl)pentyl]-2-purinamine IUPAC Name: 6-chloro-9-[3-(phenylmethoxymethyl)pentyl]purin-2-amine Traditional Name: [9-[3-(benzoxymethyl)pentyl]-6-chloro-purin-2-yl]amine Formula: C18H22ClN5O MolecularWeight: 359.85318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1C=NC2=C1N=C(N=C2Cl)N)COCC3=CC=CC=C3

Isomeric SMILES

CCC(CCN1C=NC2=C1N=C(N=C2Cl)N)COCC3=CC=CC=C3

InChI

InChI=1S/C18H22ClN5O/c1-2-13(10-25-11-14-6-4-3-5-7-14)8-9-24-12-21-15-16(19)22-18(20)23-17(15)24/h3-7,12-13H,2,8-11H2,1H3,(H2,20,22,23)