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

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

Systemtic Name:1,7-dimethyl-3-propyl-8-[(E)-2-thiophen-3-ylethenyl]purine-2,6-dione
Openeye Name:1,7-dimethyl-3-propyl-8-[(E)-2-(3-thienyl)vinyl]purine-2,6-dione
CAS Name:1,7-dimethyl-3-propyl-8-[(E)-2-(3-thiophenyl)ethenyl]purine-2,6-dione
IUPAC Name:1,7-dimethyl-3-propyl-8-[(E)-2-thiophen-3-ylethenyl]purine-2,6-dione
Traditional Name:1,7-dimethyl-3-propyl-8-[(E)-2-(3-thienyl)vinyl]xanthine
Formula: C16H18N4O2S
MolecularWeight: 330.40472
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C=CC3=CSC=C3)C


Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)/C=C/C3=CSC=C3)C


InChI

InChI=1S/C16H18N4O2S/c1-4-8-20-14-13(15(21)19(3)16(20)22)18(2)12(17-14)6-5-11-7-9-23-10-11/h5-7,9-10H,4,8H2,1-3H3/b6-5+


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