methanesulfonic acid; 9-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]purine

Systemtic Name: methanesulfonic acid; 9-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]purine Openeye Name: 9-allyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]purine; methanesulfonic acid CAS Name: methanesulfonic acid; 9-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)-1-piperazinyl]purine IUPAC Name: methanesulfonic acid; 9-prop-2-enyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]purine Traditional Name: 9-allyl-2-[4-(3,3,3-triphenylpropyl)piperazino]purine; mesylic acid Formula: C35H42N6O6S2 MolecularWeight: 706.87458

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H34N6.2CH4O3S/c1-2-19-39-26-35-30-25-34-32(36-31(30)39)38-23-21-37(22-24-38)20-18-33(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29;2*1-5(2,3)4/h2-17,25-26H,1,18-24H2;2*1H3,(H,2,3,4)