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

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

Systemtic Name:1,3,7-trimethyl-8-[(E)-2-thiophen-2-ylethenyl]purine-2,6-dione
Openeye Name:1,3,7-trimethyl-8-[(E)-2-(2-thienyl)vinyl]purine-2,6-dione
CAS Name:1,3,7-trimethyl-8-[(E)-2-thiophen-2-ylethenyl]purine-2,6-dione
IUPAC Name:1,3,7-trimethyl-8-[(E)-2-thiophen-2-ylethenyl]purine-2,6-dione
Traditional Name:1,3,7-trimethyl-8-[(E)-2-(2-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=CC=CS3


Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC=CS3


InChI

InChI=1S/C14H14N4O2S/c1-16-10(7-6-9-5-4-8-21-9)15-12-11(16)13(19)18(3)14(20)17(12)2/h4-8H,1-3H3/b7-6+


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