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

Systemtic Name: 2-[2-chloranyl-7-(1-phenylethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-chloro-7-(1-phenylethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-chloro-7-(1-phenylethyl)-6-purinyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-chloro-7-(1-phenylethyl)purin-6-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-chloro-7-(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=C2C(=NC(=N3)Cl)N4CCC5=CC(=C(C=C5C4)OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC3=C2C(=NC(=N3)Cl)N4CCC5=CC(=C(C=C5C4)OC)OC

InChI

InChI=1S/C24H24ClN5O2/c1-15(16-7-5-4-6-8-16)30-14-26-22-21(30)23(28-24(25)27-22)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