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1-(phenylmethyl)-7H-purine-6-thione

1-(phenylmethyl)-7H-purine-6-thione

Systemtic Name:1-(phenylmethyl)-7H-purine-6-thione
Openeye Name:1-benzyl-7H-purine-6-thione
CAS Name:1-(phenylmethyl)-7H-purine-6-thione
IUPAC Name:1-benzyl-7H-purine-6-thione
Traditional Name:1-benzyl-7H-purine-6-thione
Formula: C12H10N4S
MolecularWeight: 242.2996
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=S)NC=N3


Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=S)NC=N3


InChI

InChI=1S/C12H10N4S/c17-12-10-11(14-7-13-10)15-8-16(12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14)


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