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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)pentanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)pentanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]pentanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)pentanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)valeramide Formula: C24H33BrN4O2S MolecularWeight: 521.51342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCN1CCCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC(C(=O)NCCN1CCCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H33BrN4O2S/c1-4-7-21(22(30)26-12-15-29-13-5-6-14-29)32-24-27-17(2)20(23(31)28(24)3)16-18-8-10-19(25)11-9-18/h8-11,21H,4-7,12-16H2,1-3H3,(H,26,30)