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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC2)CN3C=NC(=C4C3=NC(=N4)SC5=C(C=C6C(=C5)OCO6)Br)N

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC2)CN3C=NC(=C4C3=NC(=N4)SC5=C(C=C6C(=C5)OCO6)Br)N

InChI

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