(6E)-5-azanylidene-6-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-6-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-(1-ethylpropyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)methylene]-2-(1-ethylpropyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)OCC)C)C(=O)N=C2S1

Isomeric SMILES

CCC(CC)C1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=C(C=C4)OCC)C)/C(=O)N=C2S1

InChI

InChI=1S/C25H29N5O2S/c1-6-17(7-2)24-28-30-22(26)21(23(31)27-25(30)33-24)14-18-13-15(4)29(16(18)5)19-9-11-20(12-10-19)32-8-3/h9-14,17,26H,6-8H2,1-5H3/b21-14+,26-22?