5-(2-phenylpropan-2-yl)-3H-purin-6-one

Systemtic Name: 5-(2-phenylpropan-2-yl)-3H-purin-6-one Openeye Name: 5-(1-methyl-1-phenyl-ethyl)-3H-purin-6-one CAS Name: 5-(2-phenylpropan-2-yl)-3H-purin-6-one IUPAC Name: 5-(2-phenylpropan-2-yl)-3H-purin-6-one Traditional Name: 5-cumyl-3H-purin-6-one Formula: C14H14N4O MolecularWeight: 254.28716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C23C(=NC=N2)NC=NC3=O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C23C(=NC=N2)NC=NC3=O

InChI

InChI=1S/C14H14N4O/c1-13(2,10-6-4-3-5-7-10)14-11(16-9-18-14)15-8-17-12(14)19/h3-9H,1-2H3,(H,15,16,17,18,19)