2-phenyl-1-purin-1-yl-ethanethione

Systemtic Name: 2-phenyl-1-purin-1-yl-ethanethione Openeye Name: 2-phenyl-1-purin-1-yl-ethanethione CAS Name: 2-phenyl-1-(1-purinyl)ethanethione IUPAC Name: 2-phenyl-1-purin-1-ylethanethione Traditional Name: 2-phenyl-1-purin-1-yl-ethanethione Formula: C13H10N4S MolecularWeight: 254.3103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=S)N2C=C3C(=NC=N3)N=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(=S)N2C=C3C(=NC=N3)N=C2

InChI

InChI=1S/C13H10N4S/c18-12(6-10-4-2-1-3-5-10)17-7-11-13(16-9-17)15-8-14-11/h1-5,7-9H,6H2