N-[4-(2,4-dimethylphenoxy)butyl]-4-[2-(hexylamino)purin-9-yl]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-[2-(hexylamino)purin-9-yl]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-[2-(hexylamino)purin-9-yl]-1-hydroxy-naphthalene-2-carboxamide CAS Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-[2-(hexylamino)-9-purinyl]-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-[2-(hexylamino)purin-9-yl]-1-hydroxynaphthalene-2-carboxamide Traditional Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-[2-(hexylamino)purin-9-yl]-1-hydroxy-2-naphthamide Formula: C34H40N6O3 MolecularWeight: 580.7198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC=C2C(=N1)N(C=N2)C3=CC(=C(C4=CC=CC=C43)O)C(=O)NCCCCOC5=C(C=C(C=C5)C)C

Isomeric SMILES

CCCCCCNC1=NC=C2C(=N1)N(C=N2)C3=CC(=C(C4=CC=CC=C43)O)C(=O)NCCCCOC5=C(C=C(C=C5)C)C

InChI

InChI=1S/C34H40N6O3/c1-4-5-6-9-17-36-34-37-21-28-32(39-34)40(22-38-28)29-20-27(31(41)26-13-8-7-12-25(26)29)33(42)35-16-10-11-18-43-30-15-14-23(2)19-24(30)3/h7-8,12-15,19-22,41H,4-6,9-11,16-18H2,1-3H3,(H,35,42)(H,36,37,39)