6-[(3,5-dimethoxyphenyl)methylsulfanyl]-3,7-dihydropurin-2-one

Systemtic Name: 6-[(3,5-dimethoxyphenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(3,5-dimethoxyphenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(3,5-dimethoxyphenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(3,5-dimethoxyphenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(3,5-dimethoxybenzyl)thio]-3,7-dihydropurin-2-one Formula: C14H14N4O3S MolecularWeight: 318.35096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CSC2=NC(=O)NC3=C2NC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CSC2=NC(=O)NC3=C2NC=N3)OC

InChI

InChI=1S/C14H14N4O3S/c1-20-9-3-8(4-10(5-9)21-2)6-22-13-11-12(16-7-15-11)17-14(19)18-13/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18,19)