(phenethylamino) 6-methyl-9-(oxan-2-yl)purine-2-carboxylate

Systemtic Name: (phenethylamino) 6-methyl-9-(oxan-2-yl)purine-2-carboxylate Openeye Name: (phenethylamino) 6-methyl-9-tetrahydropyran-2-yl-purine-2-carboxylate CAS Name: 6-methyl-9-(2-oxanyl)-2-purinecarboxylic acid (phenethylamino) ester IUPAC Name: (phenethylamino) 6-methyl-9-(oxan-2-yl)purine-2-carboxylate Traditional Name: 6-methyl-9-tetrahydropyran-2-yl-purine-2-carboxylic acid (phenethylamino) ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)C(=O)ONCCC3=CC=CC=C3)N(C=N2)C4CCCCO4

Isomeric SMILES

CC1=C2C(=NC(=N1)C(=O)ONCCC3=CC=CC=C3)N(C=N2)C4CCCCO4

InChI

InChI=1S/C20H23N5O3/c1-14-17-19(25(13-21-17)16-9-5-6-12-27-16)24-18(23-14)20(26)28-22-11-10-15-7-3-2-4-8-15/h2-4,7-8,13,16,22H,5-6,9-12H2,1H3