2-[[6-[[4-(3-aminophenyl)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[6-[[4-(3-aminophenyl)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-[[4-(3-aminophenyl)phenyl]methylamino]-9-isopropyl-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-[[4-(3-aminophenyl)phenyl]methylamino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-[[4-(3-aminophenyl)phenyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-[[4-(3-aminophenyl)benzyl]amino]-9-isopropyl-purin-2-yl]amino]butan-1-ol Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N7O/c1-4-21(14-33)29-25-30-23(22-24(31-25)32(15-28-22)16(2)3)27-13-17-8-10-18(11-9-17)19-6-5-7-20(26)12-19/h5-12,15-16,21,33H,4,13-14,26H2,1-3H3,(H2,27,29,30,31)