N-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(methylthio)-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(methylthio)-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C=C(SC2=N1)C(=O)NC3=CC4=C(C=C3)OCO4)N5CCCC5

Isomeric SMILES

CSC1=NC(=C2C=C(SC2=N1)C(=O)NC3=CC4=C(C=C3)OCO4)N5CCCC5

InChI

InChI=1S/C19H18N4O3S2/c1-27-19-21-16(23-6-2-3-7-23)12-9-15(28-18(12)22-19)17(24)20-11-4-5-13-14(8-11)26-10-25-13/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,20,24)