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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-N-piperonyl-pyrazole-4-carboxamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC4=CC5=C(C=C4)OCO5)C6CC6

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC4=CC5=C(C=C4)OCO5)C6CC6

InChI

InChI=1S/C25H23N5O3S/c1-14-9-18(15(2)34-14)20-7-8-26-25(29-20)30-23(17-4-5-17)19(12-28-30)24(31)27-11-16-3-6-21-22(10-16)33-13-32-21/h3,6-10,12,17H,4-5,11,13H2,1-2H3,(H,27,31)