8-azanyl-2-(5-ethyl-2-propoxy-phenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(5-ethyl-2-propoxy-phenyl)purin-6-one Openeye Name: 8-amino-2-(5-ethyl-2-propoxy-phenyl)purin-6-one CAS Name: 8-amino-2-(5-ethyl-2-propoxyphenyl)-6-purinone IUPAC Name: 8-amino-2-(5-ethyl-2-propoxyphenyl)purin-6-one Traditional Name: 8-amino-2-(5-ethyl-2-propoxy-phenyl)purin-6-one Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

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