1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(2-methylthiazol-4-yl)methyl]pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-N-[(2-methyl-4-thiazolyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(2-methylthiazol-4-yl)methyl]pyrazole-4-carboxamide Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

Isomeric SMILES

CC1=NC(=CS1)CNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

InChI

InChI=1S/C23H20N6O3S/c1-13-27-16(11-33-13)9-25-22(30)17-10-26-29(21(17)14-2-3-14)23-24-7-6-18(28-23)15-4-5-19-20(8-15)32-12-31-19/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,25,30)