9-cyclohepta-2,4,6-trien-1-yl-3H-purine-6-thione

Systemtic Name: 9-cyclohepta-2,4,6-trien-1-yl-3H-purine-6-thione Openeye Name: 9-cyclohepta-2,4,6-trien-1-yl-3H-purine-6-thione CAS Name: 9-(1-cyclohepta-2,4,6-trienyl)-3H-purine-6-thione IUPAC Name: 9-cyclohepta-2,4,6-trien-1-yl-3H-purine-6-thione Traditional Name: 9-cyclohepta-2,4,6-trien-1-yl-3H-purine-6-thione Formula: C12H10N4S MolecularWeight: 242.2996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC(C=C1)N2C=NC3=C2NC=NC3=S

Isomeric SMILES

C1=CC=CC(C=C1)N2C=NC3=C2NC=NC3=S

InChI

InChI=1S/C12H10N4S/c17-12-10-11(13-7-14-12)16(8-15-10)9-5-3-1-2-4-6-9/h1-9H,(H,13,14,17)