6-[(3,4-dimethylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one

Systemtic Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(3,4-dimethylphenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(3,4-dimethylbenzyl)thio]-3,7-dihydropurin-2-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4OS/c1-8-3-4-10(5-9(8)2)6-20-13-11-12(16-7-15-11)17-14(19)18-13/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18,19)