1-methyl-3-[4-(oxiran-2-yl)butyl]-7H-purine-2,6-dione

Systemtic Name: 1-methyl-3-[4-(oxiran-2-yl)butyl]-7H-purine-2,6-dione Openeye Name: 1-methyl-3-[4-(oxiran-2-yl)butyl]-7H-purine-2,6-dione CAS Name: 1-methyl-3-[4-(2-oxiranyl)butyl]-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-[4-(oxiran-2-yl)butyl]-7H-purine-2,6-dione Traditional Name: 1-methyl-3-[4-(oxiran-2-yl)butyl]-7H-purine-2,6-quinone Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2)N(C1=O)CCCCC3CO3

Isomeric SMILES

CN1C(=O)C2=C(N=CN2)N(C1=O)CCCCC3CO3

InChI

InChI=1S/C12H16N4O3/c1-15-11(17)9-10(14-7-13-9)16(12(15)18)5-3-2-4-8-6-19-8/h7-8H,2-6H2,1H3,(H,13,14)