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

Systemtic Name: 3-methyl-1-prop-2-ynyl-8-[(E)-2-thiophen-3-ylethenyl]-7H-purine-2,6-dione Openeye Name: 3-methyl-1-prop-2-ynyl-8-[(E)-2-(3-thienyl)vinyl]-7H-purine-2,6-dione CAS Name: 3-methyl-1-prop-2-ynyl-8-[(E)-2-(3-thiophenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 3-methyl-1-prop-2-ynyl-8-[(E)-2-thiophen-3-ylethenyl]-7H-purine-2,6-dione Traditional Name: 3-methyl-1-propargyl-8-[(E)-2-(3-thienyl)vinyl]-7H-purine-2,6-quinone Formula: C15H12N4O2S MolecularWeight: 312.34638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O2S/c1-3-7-19-14(20)12-13(18(2)15(19)21)17-11(16-12)5-4-10-6-8-22-9-10/h1,4-6,8-9H,7H2,2H3,(H,16,17)/b5-4+