6-chloranyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl]purin-2-amine Openeye Name: 9-[4-benzyloxy-3-(benzyloxymethyl)but-2-enyl]-6-chloro-purin-2-amine CAS Name: 6-chloro-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl]-2-purinamine IUPAC Name: 6-chloro-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl]purin-2-amine Traditional Name: [9-[4-benzoxy-3-(benzoxymethyl)but-2-enyl]-6-chloro-purin-2-yl]amine Formula: C24H24ClN5O2 MolecularWeight: 449.93266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(=CCN2C=NC3=C2N=C(N=C3Cl)N)COCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COCC(=CCN2C=NC3=C2N=C(N=C3Cl)N)COCC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN5O2/c25-22-21-23(29-24(26)28-22)30(17-27-21)12-11-20(15-31-13-18-7-3-1-4-8-18)16-32-14-19-9-5-2-6-10-19/h1-11,17H,12-16H2,(H2,26,28,29)