5-methyl-N-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: N-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: N-[(2R)-6-hydroxy-6-methylheptan-2-yl]-5-methyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(2R)-6-hydroxy-6-methylheptan-2-yl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)NC(C)CCCC(C)(C)O

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N[C@H](C)CCCC(C)(C)O

InChI

InChI=1S/C21H27N5O2S/c1-14(7-5-10-21(3,4)28)24-19(27)16-13-23-26(15(16)2)20-22-11-9-17(25-20)18-8-6-12-29-18/h6,8-9,11-14,28H,5,7,10H2,1-4H3,(H,24,27)/t14-/m1/s1