5-azanylidene-6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxy-phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxy-phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxy-phenyl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-5-imino-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxy-benzylidene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C28H25N5O4S MolecularWeight: 527.5942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC

InChI

InChI=1S/C28H25N5O4S/c1-17-6-4-7-18(2)24(17)37-13-12-36-22-10-9-19(15-23(22)35-3)14-21-25(29)33-28(31-26(21)34)38-27(32-33)20-8-5-11-30-16-20/h4-11,14-16,29H,12-13H2,1-3H3