8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-[[1-(4-methoxyphenyl)cyclopropyl]methyl]purin-6-amine

Systemtic Name: 8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-[[1-(4-methoxyphenyl)cyclopropyl]methyl]purin-6-amine Openeye Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-[[1-(4-methoxyphenyl)cyclopropyl]methyl]purin-6-amine CAS Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-6-purinamine IUPAC Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-[[1-(4-methoxyphenyl)cyclopropyl]methyl]purin-6-amine Traditional Name: [8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-[[1-(4-methoxyphenyl)cyclopropyl]methyl]purin-6-yl]amine Formula: C23H20BrN5O3S MolecularWeight: 526.4056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC2)CN3C4=C(C(=NC=N4)N)N=C3SC5=C(C=C6C(=C5)OCO6)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC2)CN3C4=C(C(=NC=N4)N)N=C3SC5=C(C=C6C(=C5)OCO6)Br

InChI

InChI=1S/C23H20BrN5O3S/c1-30-14-4-2-13(3-5-14)23(6-7-23)10-29-21-19(20(25)26-11-27-21)28-22(29)33-18-9-17-16(8-15(18)24)31-12-32-17/h2-5,8-9,11H,6-7,10,12H2,1H3,(H2,25,26,27)