(2S)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-thiophen-2-ylpurin-3-yl)propan-2-ol

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(6-thiophen-2-ylpurin-3-yl)propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-thienyl)purin-3-yl]propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazinyl]-3-(6-thiophen-2-yl-3-purinyl)-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-thiophen-2-ylpurin-3-yl)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazino)-3-[6-(2-thienyl)purin-3-yl]propan-2-ol Formula: C29H30N6OS MolecularWeight: 510.6531

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC(=C3C2=NC=N3)C4=CC=CS4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C[C@@H](CN2C=NC(=C3C2=NC=N3)C4=CC=CS4)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H30N6OS/c36-24(19-35-21-32-26(25-12-7-17-37-25)27-29(35)31-20-30-27)18-33-13-15-34(16-14-33)28(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-12,17,20-21,24,28,36H,13-16,18-19H2/t24-/m0/s1