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1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CSCCCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C5CC5
Isomeric SMILES
CSCCCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C5CC5
InChI
InChI=1S/C22H23N5O3S/c1-31-10-2-8-23-21(28)16-12-25-27(20(16)14-3-4-14)22-24-9-7-17(26-22)15-5-6-18-19(11-15)30-13-29-18/h5-7,9,11-12,14H,2-4,8,10,13H2,1H3,(H,23,28)
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- 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(cyclopropylmethyl)-N-propyl-pyrazole-4-carboxamide
