[6-azanyl-2-butoxy-9-[(6-methylpyridin-3-yl)methyl]purin-8-yl] 4-methylbenzoate

Systemtic Name: [6-azanyl-2-butoxy-9-[(6-methylpyridin-3-yl)methyl]purin-8-yl] 4-methylbenzoate Openeye Name: [6-amino-2-butoxy-9-[(6-methyl-3-pyridyl)methyl]purin-8-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [6-amino-2-butoxy-9-[(6-methyl-3-pyridinyl)methyl]-8-purinyl] ester IUPAC Name: [6-amino-2-butoxy-9-[(6-methylpyridin-3-yl)methyl]purin-8-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [6-amino-2-butoxy-9-[(6-methyl-3-pyridyl)methyl]purin-8-yl] ester Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H26N6O3/c1-4-5-12-32-23-28-20(25)19-21(29-23)30(14-17-9-8-16(3)26-13-17)24(27-19)33-22(31)18-10-6-15(2)7-11-18/h6-11,13H,4-5,12,14H2,1-3H3,(H2,25,28,29)