6-[6-azanyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-9-yl]hex-2-yn-1-ol

Systemtic Name: 6-[6-azanyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-9-yl]hex-2-yn-1-ol Openeye Name: 6-[6-amino-8-[(3,4,5-trimethoxyphenyl)methyl]purin-9-yl]hex-2-yn-1-ol CAS Name: 6-[6-amino-8-[(3,4,5-trimethoxyphenyl)methyl]-9-purinyl]-2-hexyn-1-ol IUPAC Name: 6-[6-amino-8-[(3,4,5-trimethoxyphenyl)methyl]purin-9-yl]hex-2-yn-1-ol Traditional Name: 6-[6-amino-8-(3,4,5-trimethoxybenzyl)purin-9-yl]hex-2-yn-1-ol Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CCCC#CCO)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CCCC#CCO)N=CN=C3N

InChI

InChI=1S/C21H25N5O4/c1-28-15-10-14(11-16(29-2)19(15)30-3)12-17-25-18-20(22)23-13-24-21(18)26(17)8-6-4-5-7-9-27/h10-11,13,27H,4,6,8-9,12H2,1-3H3,(H2,22,23,24)