3-phenyl-2-[1-(7H-purin-6-ylsulfanyl)ethyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-phenyl-2-[1-(7H-purin-6-ylsulfanyl)ethyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-phenyl-2-[1-(7H-purin-6-ylsulfanyl)ethyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-phenyl-2-[1-(7H-purin-6-ylthio)ethyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-phenyl-2-[1-(7H-purin-6-ylsulfanyl)ethyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-phenyl-2-[1-(7H-purin-6-ylthio)ethyl]thieno[3,2-d]pyrimidin-4-one Formula: C19H14N6OS2 MolecularWeight: 406.48406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=O)N1C3=CC=CC=C3)SC=C2)SC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC(C1=NC2=C(C(=O)N1C3=CC=CC=C3)SC=C2)SC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C19H14N6OS2/c1-11(28-18-14-16(21-9-20-14)22-10-23-18)17-24-13-7-8-27-15(13)19(26)25(17)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21,22,23)