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

Systemtic Name: 9-but-3-enyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-but-3-enyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-but-3-enyl-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-but-3-enyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-but-3-enyl-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CCC=C)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CCC=C)N=CN=C3N

InChI

InChI=1S/C19H23N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h5,8-9,11H,1,6-7,10H2,2-4H3,(H2,20,21,22)