2-[[6-[[4-(1-benzofuran-2-yl)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[6-[[4-(1-benzofuran-2-yl)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-[[4-(benzofuran-2-yl)phenyl]methylamino]-9-isopropyl-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-[[4-(2-benzofuranyl)phenyl]methylamino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-[[4-(1-benzofuran-2-yl)phenyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-[[4-(benzofuran-2-yl)benzyl]amino]-9-isopropyl-purin-2-yl]amino]butan-1-ol Formula: C27H30N6O2 MolecularWeight: 470.5661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC5=CC=CC=C5O4)N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC5=CC=CC=C5O4)N=CN2C(C)C

InChI

InChI=1S/C27H30N6O2/c1-4-21(15-34)30-27-31-25(24-26(32-27)33(16-29-24)17(2)3)28-14-18-9-11-19(12-10-18)23-13-20-7-5-6-8-22(20)35-23/h5-13,16-17,21,34H,4,14-15H2,1-3H3,(H2,28,30,31,32)