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

Systemtic Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-propyl-butanamide Openeye Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-propyl-butanamide CAS Name: 4-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-propylbutanamide IUPAC Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-propylbutanamide Traditional Name: 4-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-propyl-butyramide Formula: C20H26BrN3O2S MolecularWeight: 452.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCNC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C20H26BrN3O2S/c1-4-11-22-18(25)6-5-12-27-20-23-14(2)17(19(26)24(20)3)13-15-7-9-16(21)10-8-15/h7-10H,4-6,11-13H2,1-3H3,(H,22,25)