[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl] pentanoate; methanesulfonic acid

Systemtic Name: [4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl] pentanoate; methanesulfonic acid Openeye Name: [4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl] pentanoate; methanesulfonic acid CAS Name: methanesulfonic acid; pentanoic acid [4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl] ester IUPAC Name: [4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl] pentanoate; methanesulfonic acid Traditional Name: mesylic acid; valeric acid [4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazino] ester Formula: C22H38N6O5S MolecularWeight: 498.63932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)ON1CCN(CC1)C2=NC(=NC(=C2)N3CCCC3)N4CCCC4.CS(=O)(=O)O

Isomeric SMILES

CCCCC(=O)ON1CCN(CC1)C2=NC(=NC(=C2)N3CCCC3)N4CCCC4.CS(=O)(=O)O

InChI

InChI=1S/C21H34N6O2.CH4O3S/c1-2-3-8-20(28)29-27-15-13-25(14-16-27)19-17-18(24-9-4-5-10-24)22-21(23-19)26-11-6-7-12-26;1-5(2,3)4/h17H,2-16H2,1H3;1H3,(H,2,3,4)