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

Systemtic Name: 2-[2-chloranyl-9-(1-phenylethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-chloro-9-(1-phenylethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-chloro-9-(1-phenylethyl)-6-purinyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-chloro-9-(1-phenylethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-chloro-9-(1-phenylethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC3=C2N=C(N=C3N4CCC5=CC(=C(C=C5C4)OC)OC)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC3=C2N=C(N=C3N4CCC5=CC(=C(C=C5C4)OC)OC)Cl

InChI

InChI=1S/C24H24ClN5O2/c1-15(16-7-5-4-6-8-16)30-14-26-21-22(27-24(25)28-23(21)30)29-10-9-17-11-19(31-2)20(32-3)12-18(17)13-29/h4-8,11-12,14-15H,9-10,13H2,1-3H3