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

Systemtic Name: 1,3-dimethyl-8-(2-thiophen-2-ylethylamino)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(2-thienyl)ethylamino]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-thiophen-2-ylethylamino)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-thiophen-2-ylethylamino)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[2-(2-thienyl)ethylamino]-7H-purine-2,6-quinone Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCC3=CC=CS3

InChI

InChI=1S/C13H15N5O2S/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)14-6-5-8-4-3-7-21-8/h3-4,7H,5-6H2,1-2H3,(H2,14,15,16)