8-methyl-3-(2-oxidanylpropyl)-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-methyl-3-(2-oxidanylpropyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-(2-hydroxypropyl)-8-methyl-1-propyl-7H-purine-2,6-dione CAS Name: 3-(2-hydroxypropyl)-8-methyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-(2-hydroxypropyl)-8-methyl-1-propyl-7H-purine-2,6-dione Traditional Name: 3-(2-hydroxypropyl)-8-methyl-1-propyl-7H-purine-2,6-quinone Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C)N(C1=O)CC(C)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C)N(C1=O)CC(C)O

InChI

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