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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-methyl-N-[3-(methylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-N-[3-(methylthio)propyl]pyrazole-4-carboxamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NCCCSC

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NCCCSC

InChI

InChI=1S/C20H21N5O3S/c1-13-15(19(26)21-7-3-9-29-2)11-23-25(13)20-22-8-6-16(24-20)14-4-5-17-18(10-14)28-12-27-17/h4-6,8,10-11H,3,7,9,12H2,1-2H3,(H,21,26)