phenylmethoxymethylbenzene; N-(phenylmethyl)-7H-purin-6-amine

Systemtic Name: phenylmethoxymethylbenzene; N-(phenylmethyl)-7H-purin-6-amine Openeye Name: benzyloxymethylbenzene; N-benzyl-7H-purin-6-amine CAS Name: phenylmethoxymethylbenzene; N-(phenylmethyl)-7H-purin-6-amine IUPAC Name: N-benzyl-7H-purin-6-amine; phenylmethoxymethylbenzene Traditional Name: benzoxymethylbenzene; benzyl(7H-purin-6-yl)amine Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)COCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)COCC2=CC=CC=C2

InChI

InChI=1S/C14H14O.C12H11N5/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-10H,11-12H2;1-5,7-8H,6H2,(H2,13,14,15,16,17)