6-[[3-(3-bromanyl-2-propan-2-yloxy-phenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3-(3-bromanyl-2-propan-2-yloxy-phenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-(3-bromo-2-isopropoxy-phenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-(3-bromo-2-propan-2-yloxyphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(3-bromo-2-propan-2-yloxyphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(3-bromo-2-isopropoxy-phenyl)benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C25H25BrN6O2 MolecularWeight: 521.409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1Br)C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

Isomeric SMILES

CC(C)OC1=C(C=CC=C1Br)C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

InChI

InChI=1S/C25H25BrN6O2/c1-16(2)34-23-19(8-4-9-20(23)26)18-7-3-6-17(12-18)14-28-24-22-25(31-21(13-27)30-24)32(15-29-22)10-5-11-33/h3-4,6-9,12,15-16,33H,5,10-11,14H2,1-2H3,(H,28,30,31)