ethyl 4-[3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-6-yl]benzenecarboximidate

Systemtic Name: ethyl 4-[3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-6-yl]benzenecarboximidate Openeye Name: ethyl 4-[3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-oxo-thieno[3,2-d]pyrimidin-6-yl]benzenecarboximidate CAS Name: 4-[3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxo-6-thieno[3,2-d]pyrimidinyl]benzenecarboximidic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-6-yl]benzenecarboximidate Traditional Name: 4-[3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-keto-thieno[3,2-d]pyrimidin-6-yl]benzenecarboximidic acid ethyl ester Formula: C27H24F2N6O3S MolecularWeight: 550.579666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C=N3)C(C)C(CN4C=NC=N4)(C5=C(C=C(C=C5)F)F)O

Isomeric SMILES

CCOC(=N)C1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C=N3)C(C)C(CN4C=NC=N4)(C5=C(C=C(C=C5)F)F)O

InChI

InChI=1S/C27H24F2N6O3S/c1-3-38-25(30)18-6-4-17(5-7-18)23-11-22-24(39-23)26(36)35(15-32-22)16(2)27(37,12-34-14-31-13-33-34)20-9-8-19(28)10-21(20)29/h4-11,13-16,30,37H,3,12H2,1-2H3