1-butan-2-yl-2-methyl-7-phenyl-purin-6-one

Systemtic Name: 1-butan-2-yl-2-methyl-7-phenyl-purin-6-one Openeye Name: 2-methyl-7-phenyl-1-sec-butyl-purin-6-one CAS Name: 1-butan-2-yl-2-methyl-7-phenyl-6-purinone IUPAC Name: 1-butan-2-yl-2-methyl-7-phenylpurin-6-one Traditional Name: 2-methyl-7-phenyl-1-sec-butyl-purin-6-one Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NC2=C(C1=O)N(C=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C)N1C(=NC2=C(C1=O)N(C=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C16H18N4O/c1-4-11(2)20-12(3)18-15-14(16(20)21)19(10-17-15)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3