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

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-2-propyl-3H-purin-6-one Openeye Name: 7-[(4-tert-butylphenyl)methyl]-2-propyl-3H-purin-6-one CAS Name: 7-[(4-tert-butylphenyl)methyl]-2-propyl-3H-purin-6-one IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-2-propyl-3H-purin-6-one Traditional Name: 7-(4-tert-butylbenzyl)-2-propyl-3H-purin-6-one Formula: C19H24N4O MolecularWeight: 324.42006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C19H24N4O/c1-5-6-15-21-17-16(18(24)22-15)23(12-20-17)11-13-7-9-14(10-8-13)19(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,21,22,24)