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

Systemtic Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(5-morpholin-4-yl-5-oxidanylidene-pentyl)sulfanyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(5-morpholino-5-oxo-pentyl)sulfanyl-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[[5-(4-morpholinyl)-5-oxopentyl]thio]-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(5-morpholin-4-yl-5-oxopentyl)sulfanylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[(5-keto-5-morpholino-pentyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N2CCOCC2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N2CCOCC2)C)CC3=CC=C(C=C3)Br

InChI

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