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

Systemtic Name: 2-[[6-[(4-naphthalen-2-ylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[9-isopropyl-6-[[4-(2-naphthyl)phenyl]methylamino]purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-[[4-(2-naphthalenyl)phenyl]methylamino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-[(4-naphthalen-2-ylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[9-isopropyl-6-[[4-(2-naphthyl)benzyl]amino]purin-2-yl]amino]butan-1-ol Formula: C29H32N6O MolecularWeight: 480.60398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC5=CC=CC=C5C=C4)N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC5=CC=CC=C5C=C4)N=CN2C(C)C

InChI

InChI=1S/C29H32N6O/c1-4-25(17-36)32-29-33-27(26-28(34-29)35(18-31-26)19(2)3)30-16-20-9-11-22(12-10-20)24-14-13-21-7-5-6-8-23(21)15-24/h5-15,18-19,25,36H,4,16-17H2,1-3H3,(H2,30,32,33,34)