6-[(3,4-dimethylphenyl)methylsulfanyl]-5H-purin-2-amine

Systemtic Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-5H-purin-2-amine Openeye Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-5H-purin-2-amine CAS Name: 6-[(3,4-dimethylphenyl)methylthio]-5H-purin-2-amine IUPAC Name: 6-[(3,4-dimethylphenyl)methylsulfanyl]-5H-purin-2-amine Traditional Name: [6-[(3,4-dimethylbenzyl)thio]-5H-purin-2-yl]amine Formula: C14H15N5S MolecularWeight: 285.3674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NC(=NC3=NC=NC32)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NC(=NC3=NC=NC32)N)C

InChI

InChI=1S/C14H15N5S/c1-8-3-4-10(5-9(8)2)6-20-13-11-12(17-7-16-11)18-14(15)19-13/h3-5,7,11H,6H2,1-2H3,(H2,15,16,17,18)