8-(4-methyl-4-oxidanyl-6-bicyclo[3.2.1]octanyl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(4-methyl-4-oxidanyl-6-bicyclo[3.2.1]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(4-hydroxy-4-methyl-6-bicyclo[3.2.1]octanyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(4-hydroxy-4-methyl-6-bicyclo[3.2.1]octanyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(4-hydroxy-4-methyl-6-bicyclo[3.2.1]octanyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(4-hydroxy-4-methyl-6-bicyclo[3.2.1]octanyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CC4CCC(C3C4)(C)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CC4CCC(C3C4)(C)O

InChI

InChI=1S/C20H30N4O3/c1-4-8-23-17-15(18(25)24(9-5-2)19(23)26)21-16(22-17)13-10-12-6-7-20(3,27)14(13)11-12/h12-14,27H,4-11H2,1-3H3,(H,21,22)