8-azanyl-2-(2-pentoxyphenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(2-pentoxyphenyl)purin-6-one Openeye Name: 8-amino-2-(2-pentoxyphenyl)purin-6-one CAS Name: 8-amino-2-(2-pentoxyphenyl)-6-purinone IUPAC Name: 8-amino-2-(2-pentoxyphenyl)purin-6-one Traditional Name: 8-amino-2-(2-amoxyphenyl)purin-6-one Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CCCCCOC1=CC=CC=C1C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C16H17N5O2/c1-2-3-6-9-23-11-8-5-4-7-10(11)13-19-14-12(15(22)20-13)18-16(17)21-14/h4-5,7-8H,2-3,6,9H2,1H3,(H2,17,19,20,21,22)