2-ethyl-4,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-ethyl-4,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-ethyl-4,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-ethyl-4,5-dimethyl-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-ethyl-4,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-ethyl-4,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5)C)C

InChI

InChI=1S/C22H23N3O3S/c1-4-17-23-13(3)18-12(2)19(29-21(18)25-17)20(26)24-14-7-8-15-16(11-14)28-22(27-15)9-5-6-10-22/h7-8,11H,4-6,9-10H2,1-3H3,(H,24,26)