9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione

Systemtic Name: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione Openeye Name: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione CAS Name: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione IUPAC Name: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione Traditional Name: 9-(2,5-dimethylbenzyl)-3H-purine-6-thione Formula: C14H14N4S MolecularWeight: 270.35276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=NC3=C2NC=NC3=S

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=NC3=C2NC=NC3=S

InChI

InChI=1S/C14H14N4S/c1-9-3-4-10(2)11(5-9)6-18-8-17-12-13(18)15-7-16-14(12)19/h3-5,7-8H,6H2,1-2H3,(H,15,16,19)