1-[9-(oxan-2-yl)purin-6-yl]-3-phenyl-5,6,7,8-tetrahydroisoquinoline

Systemtic Name: 1-[9-(oxan-2-yl)purin-6-yl]-3-phenyl-5,6,7,8-tetrahydroisoquinoline Openeye Name: 3-phenyl-1-(9-tetrahydropyran-2-ylpurin-6-yl)-5,6,7,8-tetrahydroisoquinoline CAS Name: 1-[9-(2-oxanyl)-6-purinyl]-3-phenyl-5,6,7,8-tetrahydroisoquinoline IUPAC Name: 1-[9-(oxan-2-yl)purin-6-yl]-3-phenyl-5,6,7,8-tetrahydroisoquinoline Traditional Name: 3-phenyl-1-(9-tetrahydropyran-2-ylpurin-6-yl)-5,6,7,8-tetrahydroisoquinoline Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C4=C5CCCCC5=CC(=N4)C6=CC=CC=C6

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C4=C5CCCCC5=CC(=N4)C6=CC=CC=C6

InChI

InChI=1S/C25H25N5O/c1-2-8-17(9-3-1)20-14-18-10-4-5-11-19(18)22(29-20)23-24-25(27-15-26-23)30(16-28-24)21-12-6-7-13-31-21/h1-3,8-9,14-16,21H,4-7,10-13H2