N-(1,4-dioxan-2-ylmethyl)-1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(1,4-dioxan-2-ylmethyl)-1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(1,4-dioxan-2-ylmethyl)-1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(1,4-dioxan-2-ylmethyl)-1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-5-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(1,4-dioxan-2-ylmethyl)-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(1,4-dioxan-2-ylmethyl)-1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-(2-thienyl)pyrazole-4-carboxamide Formula: C24H22FN5O3S MolecularWeight: 479.526583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)NCC4COCCO4)C5=CC=CS5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)NCC4COCCO4)C5=CC=CS5

InChI

InChI=1S/C24H22FN5O3S/c1-15-11-27-24(29-21(15)16-4-6-17(25)7-5-16)30-22(20-3-2-10-34-20)19(13-28-30)23(31)26-12-18-14-32-8-9-33-18/h2-7,10-11,13,18H,8-9,12,14H2,1H3,(H,26,31)