6-methyl-8-[1-(3-oxidanylidenebutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-1H-purin-2-one

Systemtic Name: 6-methyl-8-[1-(3-oxidanylidenebutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-1H-purin-2-one Openeye Name: 6-methyl-8-[1-(3-oxobutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-1H-purin-2-one CAS Name: 6-methyl-8-[1-(3-oxobutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-1H-purin-2-one IUPAC Name: 6-methyl-8-[1-(3-oxobutyl)-4-bicyclo[2.2.2]octanyl]-3-propyl-1H-purin-2-one Traditional Name: 8-[1-(3-ketobutyl)-4-bicyclo[2.2.2]octanyl]-6-methyl-3-propyl-1H-purin-2-one Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC2=C(NC1=O)C)C34CCC(CC3)(CC4)CCC(=O)C

Isomeric SMILES

CCCN1C2=NC(=NC2=C(NC1=O)C)C34CCC(CC3)(CC4)CCC(=O)C

InChI

InChI=1S/C21H30N4O2/c1-4-13-25-17-16(15(3)22-19(25)27)23-18(24-17)21-10-7-20(8-11-21,9-12-21)6-5-14(2)26/h4-13H2,1-3H3,(H,22,27)