9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-6-ethylsulfanyl-purin-2-amine

Systemtic Name: 9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-6-ethylsulfanyl-purin-2-amine Openeye Name: 9-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-6-ethylsulfanyl-purin-2-amine CAS Name: 9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-6-(ethylthio)-2-purinamine IUPAC Name: 9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-6-ethylsulfanylpurin-2-amine Traditional Name: [9-(2-bromo-3,4,5-trimethoxy-benzyl)-6-(ethylthio)purin-2-yl]amine Formula: C17H20BrN5O3S MolecularWeight: 454.3414

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC2=C1N=CN2CC3=CC(=C(C(=C3Br)OC)OC)OC)N

Isomeric SMILES

CCSC1=NC(=NC2=C1N=CN2CC3=CC(=C(C(=C3Br)OC)OC)OC)N

InChI

InChI=1S/C17H20BrN5O3S/c1-5-27-16-12-15(21-17(19)22-16)23(8-20-12)7-9-6-10(24-2)13(25-3)14(26-4)11(9)18/h6,8H,5,7H2,1-4H3,(H2,19,21,22)