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

Systemtic Name: 6-[(3-methylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-(m-tolylmethylsulfanyl)-3,7-dihydropurin-2-one CAS Name: 6-[(3-methylphenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(3-methylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(3-methylbenzyl)thio]-3,7-dihydropurin-2-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)NC3=C2NC=N3

InChI

InChI=1S/C13H12N4OS/c1-8-3-2-4-9(5-8)6-19-12-10-11(15-7-14-10)16-13(18)17-12/h2-5,7H,6H2,1H3,(H2,14,15,16,17,18)