9-but-3-enyl-2-fluoranyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 9-but-3-enyl-2-fluoranyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-but-3-enyl-2-fluoro-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-but-3-enyl-2-fluoro-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-but-3-enyl-2-fluoro-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-but-3-enyl-2-fluoro-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C19H22FN5O3 MolecularWeight: 387.408083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN5O3/c1-5-6-7-25-14(22-15-17(21)23-19(20)24-18(15)25)10-11-8-12(26-2)16(28-4)13(9-11)27-3/h5,8-9H,1,6-7,10H2,2-4H3,(H2,21,23,24)