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

Systemtic Name: 8-azanyl-2-(5-cyclohexyl-2-propoxy-phenyl)purin-6-one Openeye Name: 8-amino-2-(5-cyclohexyl-2-propoxy-phenyl)purin-6-one CAS Name: 8-amino-2-(5-cyclohexyl-2-propoxyphenyl)-6-purinone IUPAC Name: 8-amino-2-(5-cyclohexyl-2-propoxyphenyl)purin-6-one Traditional Name: 8-amino-2-(5-cyclohexyl-2-propoxy-phenyl)purin-6-one Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2CCCCC2)C3=NC(=O)C4=NC(=NC4=N3)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2CCCCC2)C3=NC(=O)C4=NC(=NC4=N3)N

InChI

InChI=1S/C20H23N5O2/c1-2-10-27-15-9-8-13(12-6-4-3-5-7-12)11-14(15)17-23-18-16(19(26)24-17)22-20(21)25-18/h8-9,11-12H,2-7,10H2,1H3,(H2,21,23,24,25,26)