7-[(4-tert-butylphenyl)methyl]-2-pyridin-3-yl-3H-purin-6-one

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-2-pyridin-3-yl-3H-purin-6-one Openeye Name: 7-[(4-tert-butylphenyl)methyl]-2-(3-pyridyl)-3H-purin-6-one CAS Name: 7-[(4-tert-butylphenyl)methyl]-2-(3-pyridinyl)-3H-purin-6-one IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-2-pyridin-3-yl-3H-purin-6-one Traditional Name: 7-(4-tert-butylbenzyl)-2-(3-pyridyl)-3H-purin-6-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5O/c1-21(2,3)16-8-6-14(7-9-16)12-26-13-23-19-17(26)20(27)25-18(24-19)15-5-4-10-22-11-15/h4-11,13H,12H2,1-3H3,(H,24,25,27)