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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)pentanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)pentanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)pentanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)pentanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)valeramide Formula: C22H31BrN4O2S MolecularWeight: 495.47614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCN(C)C)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCC(C(=O)NCCN(C)C)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C22H31BrN4O2S/c1-6-7-19(20(28)24-12-13-26(3)4)30-22-25-15(2)18(21(29)27(22)5)14-16-8-10-17(23)11-9-16/h8-11,19H,6-7,12-14H2,1-5H3,(H,24,28)