4-[9-(oxan-2-yl)purin-6-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[9-(oxan-2-yl)purin-6-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Openeye Name: N-(4-phenoxyphenyl)-4-(9-tetrahydropyran-2-ylpurin-6-yl)piperazine-1-carboxamide CAS Name: 4-[9-(2-oxanyl)-6-purinyl]-N-(4-phenoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[9-(oxan-2-yl)purin-6-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Traditional Name: N-(4-phenoxyphenyl)-4-(9-tetrahydropyran-2-ylpurin-6-yl)piperazine-1-carboxamide Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C27H29N7O3/c35-27(31-20-9-11-22(12-10-20)37-21-6-2-1-3-7-21)33-15-13-32(14-16-33)25-24-26(29-18-28-25)34(19-30-24)23-8-4-5-17-36-23/h1-3,6-7,9-12,18-19,23H,4-5,8,13-17H2,(H,31,35)