(6S,9aS)-6-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]-N-(4-ethanoylphenyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide

Systemtic Name: (6S,9aS)-6-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]-N-(4-ethanoylphenyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide Openeye Name: (6S,9aS)-N-(4-acetylphenyl)-6-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-8-[2-(3-fluorophenyl)ethyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide CAS Name: (6S,9aS)-N-(4-acetylphenyl)-6-[(3,5-dibromo-4-hydroxyphenyl)methyl]-8-[2-(3-fluorophenyl)ethyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide IUPAC Name: (6S,9aS)-N-(4-acetylphenyl)-6-[(3,5-dibromo-4-hydroxyphenyl)methyl]-8-[2-(3-fluorophenyl)ethyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide Traditional Name: (6S,9aS)-N-(4-acetylphenyl)-6-(3,5-dibromo-4-hydroxy-benzyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-diketo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide Formula: C31H29Br2FN4O5 MolecularWeight: 716.392163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCC(=O)N3C2CN(C(=O)C3CC4=CC(=C(C(=C4)Br)O)Br)CCC5=CC(=CC=C5)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCC(=O)N3[C@@H]2CN(C(=O)[C@@H]3CC4=CC(=C(C(=C4)Br)O)Br)CCC5=CC(=CC=C5)F

InChI

InChI=1S/C31H29Br2FN4O5/c1-18(39)21-5-7-23(8-6-21)35-31(43)37-12-10-28(40)38-26(16-20-14-24(32)29(41)25(33)15-20)30(42)36(17-27(37)38)11-9-19-3-2-4-22(34)13-19/h2-8,13-15,26-27,41H,9-12,16-17H2,1H3,(H,35,43)/t26-,27+/m0/s1