1-(2-bromanyl-4-methyl-phenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea

Systemtic Name: 1-(2-bromanyl-4-methyl-phenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea Openeye Name: 1-(2-bromo-4-methyl-phenyl)-3-[6-morpholino-2-(2-morpholinoethoxy)pyrimidin-4-yl]thiourea CAS Name: 1-(2-bromo-4-methylphenyl)-3-[6-(4-morpholinyl)-2-[2-(4-morpholinyl)ethoxy]-4-pyrimidinyl]thiourea IUPAC Name: 1-(2-bromo-4-methylphenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea Traditional Name: 1-(2-bromo-4-methyl-phenyl)-3-[6-morpholino-2-(2-morpholinoethoxy)pyrimidin-4-yl]thiourea Formula: C22H29BrN6O3S MolecularWeight: 537.47306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=NC(=NC(=C2)N3CCOCC3)OCCN4CCOCC4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=NC(=NC(=C2)N3CCOCC3)OCCN4CCOCC4)Br

InChI

InChI=1S/C22H29BrN6O3S/c1-16-2-3-18(17(23)14-16)24-22(33)26-19-15-20(29-7-11-31-12-8-29)27-21(25-19)32-13-6-28-4-9-30-10-5-28/h2-3,14-15H,4-13H2,1H3,(H2,24,25,26,27,33)