1-[4-(diphenylmethyl)piperazin-1-yl]-3-[9-(oxan-2-yl)purin-6-yl]oxy-propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-[9-(oxan-2-yl)purin-6-yl]oxy-propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(9-tetrahydropyran-2-ylpurin-6-yl)oxy-propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[[9-(2-oxanyl)-6-purinyl]oxy]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[9-(oxan-2-yl)purin-6-yl]oxypropan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-(9-tetrahydropyran-2-ylpurin-6-yl)oxy-propan-2-ol Formula: C30H36N6O3 MolecularWeight: 528.64524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3OCC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3OCC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C30H36N6O3/c37-25(20-39-30-27-29(31-21-32-30)36(22-33-27)26-13-7-8-18-38-26)19-34-14-16-35(17-15-34)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-12,21-22,25-26,28,37H,7-8,13-20H2