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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCO

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCO

InChI

InChI=1S/C12H18N4O3/c1-3-5-16-10-9(11(18)14(2)12(16)19)15(8-13-10)6-4-7-17/h8,17H,3-7H2,1-2H3