3-phenethyl-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-phenethyl-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-phenethyl-2-thioxo-7H-purin-6-one CAS Name: 3-phenethyl-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-phenethyl-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-phenethyl-2-thioxo-7H-purin-6-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)NC=N3

InChI

InChI=1S/C13H12N4OS/c18-12-10-11(15-8-14-10)17(13(19)16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)(H,16,18,19)