5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)sulfanyl-pyrimidin-4-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)sulfanyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[1-(morpholine-4-carbonyl)butylsulfanyl]pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[[1-(4-morpholinyl)-1-oxopentan-2-yl]thio]-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopentan-2-yl)sulfanylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-3,6-dimethyl-2-[1-(morpholine-4-carbonyl)butylthio]pyrimidin-4-one Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCOCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC(C(=O)N1CCOCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H28BrN3O3S/c1-4-5-19(21(28)26-10-12-29-13-11-26)30-22-24-15(2)18(20(27)25(22)3)14-16-6-8-17(23)9-7-16/h6-9,19H,4-5,10-14H2,1-3H3