3-methyl-8-[(E)-2-phenylethenyl]-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 3-methyl-8-[(E)-2-phenylethenyl]-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-methyl-8-[(E)-styryl]-6-thioxo-7H-purin-2-one CAS Name: 3-methyl-8-[(E)-2-phenylethenyl]-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-methyl-8-[(E)-2-phenylethenyl]-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-methyl-8-[(E)-styryl]-6-thioxo-7H-purin-2-one Formula: C14H12N4OS MolecularWeight: 284.33628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)NC1=O)NC(=N2)C=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=S)NC1=O)NC(=N2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C14H12N4OS/c1-18-12-11(13(20)17-14(18)19)15-10(16-12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16)(H,17,19,20)/b8-7+