6-(naphthalen-1-ylmethylsulfanyl)-3,7-dihydropurin-2-one

Systemtic Name: 6-(naphthalen-1-ylmethylsulfanyl)-3,7-dihydropurin-2-one Openeye Name: 6-(1-naphthylmethylsulfanyl)-3,7-dihydropurin-2-one CAS Name: 6-(1-naphthalenylmethylthio)-3,7-dihydropurin-2-one IUPAC Name: 6-(naphthalen-1-ylmethylsulfanyl)-3,7-dihydropurin-2-one Traditional Name: 6-(1-naphthylmethylthio)-3,7-dihydropurin-2-one Formula: C16H12N4OS MolecularWeight: 308.35768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)NC4=C3NC=N4

InChI

InChI=1S/C16H12N4OS/c21-16-19-14-13(17-9-18-14)15(20-16)22-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H2,17,18,19,20,21)