methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H22F2N6O3S MolecularWeight: 536.553086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)SC(=C4)C5=CC=C(C=C5)C(=N)OC

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)SC(=C4)C5=CC=C(C=C5)C(=N)OC

InChI

InChI=1S/C26H22F2N6O3S/c1-15(26(36,11-33-13-30-12-32-33)19-8-7-18(27)9-20(19)28)34-14-31-21-10-22(38-23(21)25(34)35)16-3-5-17(6-4-16)24(29)37-2/h3-10,12-15,29,36H,11H2,1-2H3