1-(6-azanyl-8-bromanyl-purin-3-yl)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(6-azanyl-8-bromanyl-purin-3-yl)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(6-amino-8-bromo-purin-3-yl)-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol CAS Name: 1-(6-amino-8-bromo-3-purinyl)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(6-amino-8-bromopurin-3-yl)-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol Traditional Name: 1-(6-amino-8-bromo-purin-3-yl)-3-(4-benzhydrylpiperazino)propan-2-ol Formula: C25H28BrN7O MolecularWeight: 522.44012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC(=C3C2=NC(=N3)Br)N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC(=C3C2=NC(=N3)Br)N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28BrN7O/c26-25-29-21-23(27)28-17-33(24(21)30-25)16-20(34)15-31-11-13-32(14-12-31)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20,22,34H,11-16,27H2