9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-amine

Systemtic Name: 9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-amine Openeye Name: 9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-amine CAS Name: 9-[(3,4,5-trimethoxyphenyl)methyl]-2-purinamine IUPAC Name: 9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-amine Traditional Name: [9-(3,4,5-trimethoxybenzyl)purin-2-yl]amine Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2C=NC3=CN=C(N=C32)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2C=NC3=CN=C(N=C32)N

InChI

InChI=1S/C15H17N5O3/c1-21-11-4-9(5-12(22-2)13(11)23-3)7-20-8-18-10-6-17-15(16)19-14(10)20/h4-6,8H,7H2,1-3H3,(H2,16,17,19)