6-butoxy-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-9-(phenylmethyl)purine

Systemtic Name: 6-butoxy-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-butoxy-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]purine CAS Name: 6-butoxy-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-butoxy-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]purine Traditional Name: 9-benzyl-6-butoxy-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]purine Formula: C32H42N4O3 MolecularWeight: 530.70088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C4=CC(=C(C(=C4)C(C)(C)C)OCOC)C(C)(C)C

Isomeric SMILES

CCCCOC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C4=CC(=C(C(=C4)C(C)(C)C)OCOC)C(C)(C)C

InChI

InChI=1S/C32H42N4O3/c1-9-10-16-38-30-26-29(36(20-33-26)19-22-14-12-11-13-15-22)34-28(35-30)23-17-24(31(2,3)4)27(39-21-37-8)25(18-23)32(5,6)7/h11-15,17-18,20H,9-10,16,19,21H2,1-8H3