9-(oxan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 9-(oxan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-tetrahydropyran-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-(2-oxanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-(oxan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: (9-tetrahydropyran-2-ylpurin-6-yl)-(2,4,5-trimethoxybenzyl)amine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=NC=NC3=C2N=CN3C4CCCCO4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=NC=NC3=C2N=CN3C4CCCCO4)OC)OC

InChI

InChI=1S/C20H25N5O4/c1-26-14-9-16(28-3)15(27-2)8-13(14)10-21-19-18-20(23-11-22-19)25(12-24-18)17-6-4-5-7-29-17/h8-9,11-12,17H,4-7,10H2,1-3H3,(H,21,22,23)