6-[4-(diphenylmethyl)piperazin-1-yl]-7H-purine; methanesulfonic acid

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-7H-purine; methanesulfonic acid Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-7H-purine; methanesulfonic acid CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-7H-purine; methanesulfonic acid IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-7H-purine; methanesulfonic acid Traditional Name: 6-(4-benzhydrylpiperazino)-7H-purine; mesylic acid Formula: C24H30N6O6S2 MolecularWeight: 562.6616

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2=NC=NC3=C2NC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2=NC=NC3=C2NC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N6.2CH4O3S/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)27-11-13-28(14-12-27)22-19-21(24-15-23-19)25-16-26-22;2*1-5(2,3)4/h1-10,15-16,20H,11-14H2,(H,23,24,25,26);2*1H3,(H,2,3,4)