9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-pent-4-ynyl-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-5-6-7-8-25-16(24-17-19(21)22-12-23-20(17)25)11-13-9-14(26-2)18(28-4)15(10-13)27-3/h1,9-10,12H,6-8,11H2,2-4H3,(H2,21,22,23)