8-azanyl-2-(5-tert-butyl-2-methoxy-phenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(5-tert-butyl-2-methoxy-phenyl)purin-6-one Openeye Name: 8-amino-2-(5-tert-butyl-2-methoxy-phenyl)purin-6-one CAS Name: 8-amino-2-(5-tert-butyl-2-methoxyphenyl)-6-purinone IUPAC Name: 8-amino-2-(5-tert-butyl-2-methoxyphenyl)purin-6-one Traditional Name: 8-amino-2-(5-tert-butyl-2-methoxy-phenyl)purin-6-one Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C16H17N5O2/c1-16(2,3)8-5-6-10(23-4)9(7-8)12-19-13-11(14(22)20-12)18-15(17)21-13/h5-7H,1-4H3,(H2,17,19,20,21,22)