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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(thiazol-2-ylmethyl)pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-N-(2-thiazolylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(thiazol-2-ylmethyl)pyrazole-4-carboxamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)NCC6=NC=CS6

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)NCC6=NC=CS6

InChI

InChI=1S/C22H18N6O3S/c29-21(25-11-19-23-7-8-32-19)15-10-26-28(20(15)13-1-2-13)22-24-6-5-16(27-22)14-3-4-17-18(9-14)31-12-30-17/h3-10,13H,1-2,11-12H2,(H,25,29)