3-butyl-1-(2-oxidanylpropyl)-7H-purine-2,6-dione; 1-(3-oxidanylpropyl)-3-propyl-7H-purine-2,6-dione

Systemtic Name: 3-butyl-1-(2-oxidanylpropyl)-7H-purine-2,6-dione; 1-(3-oxidanylpropyl)-3-propyl-7H-purine-2,6-dione Openeye Name: 3-butyl-1-(2-hydroxypropyl)-7H-purine-2,6-dione; 1-(3-hydroxypropyl)-3-propyl-7H-purine-2,6-dione CAS Name: 3-butyl-1-(2-hydroxypropyl)-7H-purine-2,6-dione; 1-(3-hydroxypropyl)-3-propyl-7H-purine-2,6-dione IUPAC Name: 3-butyl-1-(2-hydroxypropyl)-7H-purine-2,6-dione; 1-(3-hydroxypropyl)-3-propyl-7H-purine-2,6-dione Traditional Name: 3-butyl-1-(2-hydroxypropyl)-7H-purine-2,6-quinone; 1-(3-hydroxypropyl)-3-propyl-7H-purine-2,6-quinone Formula: C23H34N8O6 MolecularWeight: 518.56606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(C)O)NC=N2.CCCN1C2=C(C(=O)N(C1=O)CCCO)NC=N2

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(C)O)NC=N2.CCCN1C2=C(C(=O)N(C1=O)CCCO)NC=N2

InChI

InChI=1S/C12H18N4O3.C11H16N4O3/c1-3-4-5-15-10-9(13-7-14-10)11(18)16(12(15)19)6-8(2)17;1-2-4-14-9-8(12-7-13-9)10(17)15(11(14)18)5-3-6-16/h7-8,17H,3-6H2,1-2H3,(H,13,14);7,16H,2-6H2,1H3,(H,12,13)