4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide

Systemtic Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide Openeye Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide CAS Name: 4-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-(3-methoxypropyl)butanamide IUPAC Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide Traditional Name: 4-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(3-methoxypropyl)butyramide Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NCCCOC)C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NCCCOC)C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H28BrN3O3S/c1-15-18(14-16-7-9-17(22)10-8-16)20(27)25(2)21(24-15)29-13-4-6-19(26)23-11-5-12-28-3/h7-10H,4-6,11-14H2,1-3H3,(H,23,26)