9-bromanyl-2-chloranyl-6-methyl-8-propyl-4-(2H-1,2,3,4-tetrazol-5-yl)-3-[(2-thiophen-3-ylphenyl)methyl]purine

Systemtic Name: 9-bromanyl-2-chloranyl-6-methyl-8-propyl-4-(2H-1,2,3,4-tetrazol-5-yl)-3-[(2-thiophen-3-ylphenyl)methyl]purine Openeye Name: 9-bromo-2-chloro-6-methyl-8-propyl-4-(2H-tetrazol-5-yl)-3-[[2-(3-thienyl)phenyl]methyl]purine CAS Name: 9-bromo-2-chloro-6-methyl-8-propyl-4-(2H-tetrazol-5-yl)-3-[[2-(3-thiophenyl)phenyl]methyl]purine IUPAC Name: 9-bromo-2-chloro-6-methyl-8-propyl-4-(2H-tetrazol-5-yl)-3-[(2-thiophen-3-ylphenyl)methyl]purine Traditional Name: 9-bromo-2-chloro-6-methyl-8-propyl-4-(2H-tetrazol-5-yl)-3-[2-(3-thienyl)benzyl]purine Formula: C21H20BrClN8S MolecularWeight: 531.8591

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=C(N(C2(N1Br)C3=NNN=N3)CC4=CC=CC=C4C5=CSC=C5)Cl)C

Isomeric SMILES

CCCC1=NC2=C(N=C(N(C2(N1Br)C3=NNN=N3)CC4=CC=CC=C4C5=CSC=C5)Cl)C

InChI

InChI=1S/C21H20BrClN8S/c1-3-6-17-25-18-13(2)24-20(23)30(21(18,31(17)22)19-26-28-29-27-19)11-14-7-4-5-8-16(14)15-9-10-32-12-15/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,26,27,28,29)