1,3-dimethyl-8-[(E)-2-thiophen-3-ylethenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(E)-2-thiophen-3-ylethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(E)-2-(3-thienyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(E)-2-(3-thiophenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(E)-2-thiophen-3-ylethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(E)-2-(3-thienyl)vinyl]-7H-purine-2,6-quinone Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=CC3=CSC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=CSC=C3

InChI

InChI=1S/C13H12N4O2S/c1-16-11-10(12(18)17(2)13(16)19)14-9(15-11)4-3-8-5-6-20-7-8/h3-7H,1-2H3,(H,14,15)/b4-3+