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

Systemtic Name: 1,3,7-trimethyl-8-[(E)-2-thiophen-3-ylethenyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(E)-2-(3-thienyl)vinyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(E)-2-(3-thiophenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(E)-2-thiophen-3-ylethenyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(E)-2-(3-thienyl)vinyl]xanthine Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CSC=C3

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CSC=C3

InChI

InChI=1S/C14H14N4O2S/c1-16-10(5-4-9-6-7-21-8-9)15-12-11(16)13(19)18(3)14(20)17(12)2/h4-8H,1-3H3/b5-4+