1,3-dimethyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]pyrimidine-2,4-dione; methanesulfonic acid

Systemtic Name: 1,3-dimethyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]pyrimidine-2,4-dione; methanesulfonic acid Openeye Name: 1,3-dimethyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]pyrimidine-2,4-dione; methanesulfonic acid CAS Name: 1,3-dimethyl-6-[4-(3-phenoxypropyl)-1-piperazinyl]pyrimidine-2,4-dione; methanesulfonic acid IUPAC Name: 1,3-dimethyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]pyrimidine-2,4-dione; methanesulfonic acid Traditional Name: 1,3-dimethyl-6-[4-(3-phenoxypropyl)piperazino]pyrimidine-2,4-quinone; mesylic acid Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C19H26N4O3.CH4O3S/c1-20-17(15-18(24)21(2)19(20)25)23-12-10-22(11-13-23)9-6-14-26-16-7-4-3-5-8-16;1-5(2,3)4/h3-5,7-8,15H,6,9-14H2,1-2H3;1H3,(H,2,3,4)