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

Systemtic Name: 3-methyl-1,7-bis(1-oxidanylpropyl)purine-2,6-dione Openeye Name: 1,7-bis(1-hydroxypropyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(1-hydroxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(1-hydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(1-hydroxypropyl)-3-methyl-xanthine Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CC)O)O

Isomeric SMILES

CCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CC)O)O

InChI

InChI=1S/C12H18N4O4/c1-4-7(17)15-6-13-10-9(15)11(19)16(8(18)5-2)12(20)14(10)3/h6-8,17-18H,4-5H2,1-3H3