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

Systemtic Name: 1-methyl-3-propyl-8-[(E)-2-thiophen-3-ylethenyl]-7H-purine-2,6-dione Openeye Name: 1-methyl-3-propyl-8-[(E)-2-(3-thienyl)vinyl]-7H-purine-2,6-dione CAS Name: 1-methyl-3-propyl-8-[(E)-2-(3-thiophenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-propyl-8-[(E)-2-thiophen-3-ylethenyl]-7H-purine-2,6-dione Traditional Name: 1-methyl-3-propyl-8-[(E)-2-(3-thienyl)vinyl]-7H-purine-2,6-quinone Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-3-7-19-13-12(14(20)18(2)15(19)21)16-11(17-13)5-4-10-6-8-22-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,17)/b5-4+