2-[[5-[(6-azanyl-7H-purin-2-yl)sulfanylmethyl]-2-phenyl-1,3-oxazol-4-yl]methylsulfanyl]-7H-purin-6-amine

Systemtic Name: 2-[[5-[(6-azanyl-7H-purin-2-yl)sulfanylmethyl]-2-phenyl-1,3-oxazol-4-yl]methylsulfanyl]-7H-purin-6-amine Openeye Name: 2-[[5-[(6-amino-7H-purin-2-yl)sulfanylmethyl]-2-phenyl-oxazol-4-yl]methylsulfanyl]-7H-purin-6-amine CAS Name: 2-[[5-[[(6-amino-7H-purin-2-yl)thio]methyl]-2-phenyl-4-oxazolyl]methylthio]-7H-purin-6-amine IUPAC Name: 2-[[5-[(6-amino-7H-purin-2-yl)sulfanylmethyl]-2-phenyl-1,3-oxazol-4-yl]methylsulfanyl]-7H-purin-6-amine Traditional Name: [2-[[4-[[(6-amino-7H-purin-2-yl)thio]methyl]-2-phenyl-oxazol-5-yl]methylthio]-7H-purin-6-yl]amine Formula: C21H17N11OS2 MolecularWeight: 503.56278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(O2)CSC3=NC4=C(C(=N3)N)NC=N4)CSC5=NC6=C(C(=N5)N)NC=N6

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(O2)CSC3=NC4=C(C(=N3)N)NC=N4)CSC5=NC6=C(C(=N5)N)NC=N6

InChI

InChI=1S/C21H17N11OS2/c22-15-13-17(26-8-24-13)31-20(29-15)34-6-11-12(33-19(28-11)10-4-2-1-3-5-10)7-35-21-30-16(23)14-18(32-21)27-9-25-14/h1-5,8-9H,6-7H2,(H3,22,24,26,29,31)(H3,23,25,27,30,32)