4-(1,3-benzodioxol-5-yloxy)-N-[[5-(2-oxidanylpropan-2-yl)thiophen-2-yl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[5-(2-oxidanylpropan-2-yl)thiophen-2-yl]methyl]pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[5-(1-hydroxy-1-methyl-ethyl)-2-thienyl]methyl]pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[5-(2-hydroxypropan-2-yl)-2-thiophenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[5-(1-hydroxy-1-methyl-ethyl)-2-thienyl]methyl]pyrimidine-5-carboxamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(S1)CNC(=O)C2=CN=CN=C2OC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(C1=CC=C(S1)CNC(=O)C2=CN=CN=C2OC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H19N3O5S/c1-20(2,25)17-6-4-13(29-17)8-22-18(24)14-9-21-10-23-19(14)28-12-3-5-15-16(7-12)27-11-26-15/h3-7,9-10,25H,8,11H2,1-2H3,(H,22,24)