3-[2-(dimethylamino)hexyl]-1-(oxiran-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(dimethylamino)hexyl]-1-(oxiran-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(dimethylamino)hexyl]-1-(oxiran-2-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(dimethylamino)hexyl]-1-(2-oxiranylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(dimethylamino)hexyl]-1-(oxiran-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(dimethylamino)hexyl]-1-glycidyl-7H-purine-2,6-quinone Formula: C16H25N5O3 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C2=C(C(=O)N(C1=O)CC3CO3)NC=N2)N(C)C

Isomeric SMILES

CCCCC(CN1C2=C(C(=O)N(C1=O)CC3CO3)NC=N2)N(C)C

InChI

InChI=1S/C16H25N5O3/c1-4-5-6-11(19(2)3)7-20-14-13(17-10-18-14)15(22)21(16(20)23)8-12-9-24-12/h10-12H,4-9H2,1-3H3,(H,17,18)