4-ethoxy-6-[(Z)-[4-oxidanylidene-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-ylidene]methyl]quinoline-3-carbonitrile

Systemtic Name: 4-ethoxy-6-[(Z)-[4-oxidanylidene-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-ylidene]methyl]quinoline-3-carbonitrile Openeye Name: 4-ethoxy-6-[(Z)-[4-oxo-2-(pyrimidin-2-ylmethylamino)thiazol-5-ylidene]methyl]quinoline-3-carbonitrile CAS Name: 4-ethoxy-6-[(Z)-[4-oxo-2-(2-pyrimidinylmethylamino)-5-thiazolylidene]methyl]-3-quinolinecarbonitrile IUPAC Name: 4-ethoxy-6-[(Z)-[4-oxo-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-ylidene]methyl]quinoline-3-carbonitrile Traditional Name: 4-ethoxy-6-[(Z)-[4-keto-2-(2-pyrimidylmethylamino)-2-thiazolin-5-ylidene]methyl]quinoline-3-carbonitrile Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=C(C=CC2=NC=C1C#N)C=C3C(=O)N=C(S3)NCC4=NC=CC=N4

Isomeric SMILES

CCOC1=C2C=C(C=CC2=NC=C1C#N)/C=C\3/C(=O)N=C(S3)NCC4=NC=CC=N4

InChI

InChI=1S/C21H16N6O2S/c1-2-29-19-14(10-22)11-25-16-5-4-13(8-15(16)19)9-17-20(28)27-21(30-17)26-12-18-23-6-3-7-24-18/h3-9,11H,2,12H2,1H3,(H,26,27,28)/b17-9-