8-[4-(phenylmethylsulfanyl)phenyl]-7H-purin-6-amine

Systemtic Name: 8-[4-(phenylmethylsulfanyl)phenyl]-7H-purin-6-amine Openeye Name: 8-(4-benzylsulfanylphenyl)-7H-purin-6-amine CAS Name: 8-[4-(phenylmethylthio)phenyl]-7H-purin-6-amine IUPAC Name: 8-(4-benzylsulfanylphenyl)-7H-purin-6-amine Traditional Name: [8-[4-(benzylthio)phenyl]-7H-purin-6-yl]amine Formula: C18H15N5S MolecularWeight: 333.4102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C18H15N5S/c19-16-15-18(21-11-20-16)23-17(22-15)13-6-8-14(9-7-13)24-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H3,19,20,21,22,23)