6-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-5-[[2-[3-(1-imidazolyl)propylamino]-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C25H28N6O4S2 MolecularWeight: 540.65762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O)NCCCN4C=CN=C4

InChI

InChI=1S/C25H28N6O4S2/c1-17-7-5-13-30-22(17)28-21(27-9-6-11-29-14-10-26-16-29)18(23(30)34)15-19-24(35)31(25(36)37-19)12-4-2-3-8-20(32)33/h5,7,10,13-16,27H,2-4,6,8-9,11-12H2,1H3,(H,32,33)/b19-15-