1,3-dimethyl-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-thienylmethylamino)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-thenylamino)-7H-purine-2,6-quinone Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=CS3

InChI

InChI=1S/C12H13N5O2S/c1-16-9-8(10(18)17(2)12(16)19)14-11(15-9)13-6-7-4-3-5-20-7/h3-5H,6H2,1-2H3,(H2,13,14,15)