2-[2-chloranyl-9-(phenylmethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-chloranyl-9-(phenylmethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(9-benzyl-2-chloro-purin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-chloro-9-(phenylmethyl)-6-purinyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(9-benzyl-2-chloropurin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(9-benzyl-2-chloro-purin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC4=C3N=CN4CC5=CC=CC=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC4=C3N=CN4CC5=CC=CC=C5)Cl)OC

InChI

InChI=1S/C23H22ClN5O2/c1-30-18-10-16-8-9-28(13-17(16)11-19(18)31-2)21-20-22(27-23(24)26-21)29(14-25-20)12-15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12-13H2,1-2H3