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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]acetamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-[(3S)-2-oxo-3-azepanyl]acetamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]acetamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-[(3S)-2-ketoazepan-3-yl]acetamide Formula: C21H25BrN4O3S MolecularWeight: 493.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC(=O)NC2CCCCNC2=O)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC(=O)N[C@H]2CCCCNC2=O)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O3S/c1-13-16(11-14-6-8-15(22)9-7-14)20(29)26(2)21(24-13)30-12-18(27)25-17-5-3-4-10-23-19(17)28/h6-9,17H,3-5,10-12H2,1-2H3,(H,23,28)(H,25,27)/t17-/m0/s1