8-(3,4-dihydro-2H-thiochromen-6-yl)-7H-purine hydrochloride

Systemtic Name: 8-(3,4-dihydro-2H-thiochromen-6-yl)-7H-purine hydrochloride Openeye Name: 8-thiochroman-6-yl-7H-purine hydrochloride CAS Name: 8-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-7H-purine hydrochloride IUPAC Name: 8-(3,4-dihydro-2H-thiochromen-6-yl)-7H-purine hydrochloride Traditional Name: 8-thiochroman-6-yl-7H-purine hydrochloride Formula: C14H13ClN4S MolecularWeight: 304.79782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=NC4=NC=NC=C4N3)SC1.Cl

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=NC4=NC=NC=C4N3)SC1.Cl

InChI

InChI=1S/C14H12N4S.ClH/c1-2-9-6-10(3-4-12(9)19-5-1)13-17-11-7-15-8-16-14(11)18-13;/h3-4,6-8H,1-2,5H2,(H,15,16,17,18);1H