2-[5-[[9-methyl-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[9-methyl-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[2-(3-isopropoxypropylamino)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)-3-pyrido[1,2-a]pyrimidinyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[5-[[2-(3-isopropoxypropylamino)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(=O)O)NCCCOC(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(=O)O)NCCCOC(C)C

InChI

InChI=1S/C21H24N4O5S2/c1-12(2)30-9-5-7-22-17-14(19(28)24-8-4-6-13(3)18(24)23-17)10-15-20(29)25(11-16(26)27)21(31)32-15/h4,6,8,10,12,22H,5,7,9,11H2,1-3H3,(H,26,27)