(2E,6E)-5-azanylidene-6-[[2,5-dimethyl-1-(phenylmethyl)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-[[2,5-dimethyl-1-(phenylmethyl)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-benzyl-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-[[2,5-dimethyl-1-(phenylmethyl)-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-benzyl-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-benzyl-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: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C3C(=N)N4C(=NC3=O)SC(=CC(=O)N5CCOCC5)N4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=N)N4C(=NC3=O)S/C(=C/C(=O)N5CCOCC5)/N4

InChI

InChI=1S/C25H26N6O3S/c1-16-12-19(17(2)30(16)15-18-6-4-3-5-7-18)13-20-23(26)31-25(27-24(20)33)35-21(28-31)14-22(32)29-8-10-34-11-9-29/h3-7,12-14,26,28H,8-11,15H2,1-2H3/b20-13+,21-14+,26-23?