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9-(1-oxidanyloctan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

9-(1-oxidanyloctan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name:9-(1-oxidanyloctan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one
Openeye Name:9-[1-(hydroxymethyl)heptyl]-2-(2-propoxyphenyl)-3H-purin-6-one
CAS Name:9-(1-hydroxyoctan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one
IUPAC Name:9-(1-hydroxyoctan-2-yl)-2-(2-propoxyphenyl)-3H-purin-6-one
Traditional Name:9-(1-methylolheptyl)-2-(2-propoxyphenyl)-3H-purin-6-one
Formula: C22H30N4O3
MolecularWeight: 398.4986
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CO)N1C=NC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC


Isomeric SMILES

CCCCCCC(CO)N1C=NC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC


InChI

InChI=1S/C22H30N4O3/c1-3-5-6-7-10-16(14-27)26-15-23-19-21(26)24-20(25-22(19)28)17-11-8-9-12-18(17)29-13-4-2/h8-9,11-12,15-16,27H,3-7,10,13-14H2,1-2H3,(H,24,25,28)


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