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

Systemtic Name: 2-[[6-[[4-(4-methoxyphenyl)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[9-isopropyl-6-[[4-(4-methoxyphenyl)phenyl]methylamino]purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-[[4-(4-methoxyphenyl)phenyl]methylamino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-[[4-(4-methoxyphenyl)phenyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[9-isopropyl-6-[[4-(4-methoxyphenyl)benzyl]amino]purin-2-yl]amino]butan-1-ol Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O2/c1-5-21(15-33)29-26-30-24(23-25(31-26)32(16-28-23)17(2)3)27-14-18-6-8-19(9-7-18)20-10-12-22(34-4)13-11-20/h6-13,16-17,21,33H,5,14-15H2,1-4H3,(H2,27,29,30,31)