methanesulfonic acid; 1-(4-methylphenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea

Systemtic Name: methanesulfonic acid; 1-(4-methylphenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea Openeye Name: methanesulfonic acid; 1-[6-morpholino-2-(2-morpholinoethoxy)pyrimidin-4-yl]-3-(p-tolyl)thiourea CAS Name: methanesulfonic acid; 1-(4-methylphenyl)-3-[6-(4-morpholinyl)-2-[2-(4-morpholinyl)ethoxy]-4-pyrimidinyl]thiourea IUPAC Name: methanesulfonic acid; 1-(4-methylphenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea Traditional Name: mesylic acid; 1-[6-morpholino-2-(2-morpholinoethoxy)pyrimidin-4-yl]-3-(p-tolyl)thiourea Formula: C23H34N6O6S2 MolecularWeight: 554.68266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)N3CCOCC3)OCCN4CCOCC4.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)N3CCOCC3)OCCN4CCOCC4.CS(=O)(=O)O

InChI

InChI=1S/C22H30N6O3S.CH4O3S/c1-17-2-4-18(5-3-17)23-22(32)25-19-16-20(28-9-13-30-14-10-28)26-21(24-19)31-15-8-27-6-11-29-12-7-27;1-5(2,3)4/h2-5,16H,6-15H2,1H3,(H2,23,24,25,26,32);1H3,(H,2,3,4)