9-[[2-(phenylmethoxymethyl)cyclohexen-1-yl]methyl]purin-6-amine

Systemtic Name: 9-[[2-(phenylmethoxymethyl)cyclohexen-1-yl]methyl]purin-6-amine Openeye Name: 9-[[2-(benzyloxymethyl)cyclohexen-1-yl]methyl]purin-6-amine CAS Name: 9-[[2-(phenylmethoxymethyl)-1-cyclohexenyl]methyl]-6-purinamine IUPAC Name: 9-[[2-(phenylmethoxymethyl)cyclohexen-1-yl]methyl]purin-6-amine Traditional Name: [9-[[2-(benzoxymethyl)cyclohexen-1-yl]methyl]purin-6-yl]amine Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)CN2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=C(C1)CN2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4

InChI

InChI=1S/C20H23N5O/c21-19-18-20(23-13-22-19)25(14-24-18)10-16-8-4-5-9-17(16)12-26-11-15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2,(H2,21,22,23)