3-butyl-7-(2-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 3-butyl-7-(2-hydroxypropyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-hydroxypropyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(2-hydroxypropyl)purine-2,6-dione Traditional Name: 3-butyl-7-(2-hydroxypropyl)xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC(C)O

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC(C)O

InChI

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