7H-purine; thianthrene

Systemtic Name: 7H-purine; thianthrene Openeye Name: 7H-purine; thianthrene CAS Name: 7H-purine; thianthrene IUPAC Name: 7H-purine; thianthrene Traditional Name: 7H-purine; thianthrene Formula: C17H12N4S2 MolecularWeight: 336.43398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC3=CC=CC=C3S2.C1=C2C(=NC=N1)N=CN2

Isomeric SMILES

C1=CC=C2C(=C1)SC3=CC=CC=C3S2.C1=C2C(=NC=N1)N=CN2

InChI

InChI=1S/C12H8S2.C5H4N4/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-4-5(8-2-6-1)9-3-7-4/h1-8H;1-3H,(H,6,7,8,9)