(2E,6E)-5-azanylidene-6-[[1-(3-chloranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(2-morpholin-4-yl-2-oxidanylidene-ethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (2E,6E)-5-azanylidene-6-[[1-(3-chloranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(2-morpholin-4-yl-2-oxidanylidene-ethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (2E,6E)-6-[[1-(3-chloro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(2-morpholino-2-oxo-ethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (2E,6E)-6-[[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-[2-(4-morpholinyl)-2-oxoethylidene]-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (2E,6E)-6-[[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (2E,6E)-6-[[1-(3-chloro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(2-keto-2-morpholino-ethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C25H25ClN6O3S MolecularWeight: 525.0224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=CC(=O)N5CCOCC5)N4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)S/C(=C/C(=O)N5CCOCC5)/N4)C)Cl

InChI

InChI=1S/C25H25ClN6O3S/c1-14-4-5-18(12-20(14)26)31-15(2)10-17(16(31)3)11-19-23(27)32-25(28-24(19)34)36-21(29-32)13-22(33)30-6-8-35-9-7-30/h4-5,10-13,27,29H,6-9H2,1-3H3/b19-11+,21-13+,27-23?