9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purine-6-carbonitrile

Systemtic Name: 9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]purine-6-carbonitrile Openeye Name: 9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]purine-6-carbonitrile CAS Name: 9-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-6-purinecarbonitrile IUPAC Name: 9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]purine-6-carbonitrile Traditional Name: 9-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]purine-6-carbonitrile Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C(N=CN=C32)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C(N=CN=C32)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N7O/c27-15-23-24-26(29-18-28-23)33(19-30-24)17-22(34)16-31-11-13-32(14-12-31)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19,22,25,34H,11-14,16-17H2