8-[[4-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-2,1,3-benzothiadiazol-7-yl]methylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[[4-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-2,1,3-benzothiadiazol-7-yl]methylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[[4-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-2,1,3-benzothiadiazol-7-yl]methylsulfanyl]-7H-purin-6-amine CAS Name: 8-[[4-[[(6-amino-7H-purin-8-yl)thio]methyl]-2,1,3-benzothiadiazol-7-yl]methylthio]-7H-purin-6-amine IUPAC Name: 8-[[4-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-2,1,3-benzothiadiazol-7-yl]methylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[[7-[[(6-amino-7H-purin-8-yl)thio]methyl]piazthiol-4-yl]methylthio]-7H-purin-6-yl]amine Formula: C18H14N12S3 MolecularWeight: 494.57916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NSN=C2C(=C1)CSC3=NC4=C(N3)C(=NC=N4)N)CSC5=NC6=C(N5)C(=NC=N6)N

Isomeric SMILES

C1=C(C2=NSN=C2C(=C1)CSC3=NC4=C(N3)C(=NC=N4)N)CSC5=NC6=C(N5)C(=NC=N6)N

InChI

InChI=1S/C18H14N12S3/c19-13-11-15(23-5-21-13)27-17(25-11)31-3-7-1-2-8(10-9(7)29-33-30-10)4-32-18-26-12-14(20)22-6-24-16(12)28-18/h1-2,5-6H,3-4H2,(H3,19,21,23,25,27)(H3,20,22,24,26,28)