1-methyl-3-propyl-8-thiophen-2-yl-7H-purine-2,6-dione

Systemtic Name: 1-methyl-3-propyl-8-thiophen-2-yl-7H-purine-2,6-dione Openeye Name: 1-methyl-3-propyl-8-(2-thienyl)-7H-purine-2,6-dione CAS Name: 1-methyl-3-propyl-8-thiophen-2-yl-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-propyl-8-thiophen-2-yl-7H-purine-2,6-dione Traditional Name: 1-methyl-3-propyl-8-(2-thienyl)-7H-purine-2,6-quinone Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CS3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CS3

InChI

InChI=1S/C13H14N4O2S/c1-3-6-17-11-9(12(18)16(2)13(17)19)14-10(15-11)8-5-4-7-20-8/h4-5,7H,3,6H2,1-2H3,(H,14,15)