3-[(4-chlorophenyl)methyl]-8-propan-2-yl-7H-purin-6-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-8-propan-2-yl-7H-purin-6-one Openeye Name: 3-[(4-chlorophenyl)methyl]-8-isopropyl-7H-purin-6-one CAS Name: 3-[(4-chlorophenyl)methyl]-8-propan-2-yl-7H-purin-6-one IUPAC Name: 3-[(4-chlorophenyl)methyl]-8-propan-2-yl-7H-purin-6-one Traditional Name: 3-(4-chlorobenzyl)-8-isopropyl-7H-purin-6-one Formula: C15H15ClN4O MolecularWeight: 302.7588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=O)N=CN2CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=O)N=CN2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN4O/c1-9(2)13-18-12-14(19-13)20(8-17-15(12)21)7-10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,19)