2-(4-tert-butylphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)-7H-purine-6-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-8-oxo-9-(tetrahydrofuran-2-ylmethyl)-7H-purine-6-carboxamide CAS Name: 2-(4-tert-butylphenyl)-8-oxo-9-(2-oxolanylmethyl)-7H-purine-6-carboxamide IUPAC Name: 2-(4-tert-butylphenyl)-8-oxo-9-(oxolan-2-ylmethyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-8-keto-9-(tetrahydrofurfuryl)-7H-purine-6-carboxamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)CC4CCCO4)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)CC4CCCO4)C(=O)N

InChI

InChI=1S/C21H25N5O3/c1-21(2,3)13-8-6-12(7-9-13)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)11-14-5-4-10-29-14/h6-9,14H,4-5,10-11H2,1-3H3,(H2,22,27)(H,24,28)