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

Systemtic Name: 3,5-dimethyl-4-oxidanylidene-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3,5-dimethyl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3,5-dimethyl-4-oxo-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3,5-dimethyl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-3,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

InChI

InChI=1S/C21H21N3O4S/c1-12-16-19(22-11-24(2)20(16)26)29-17(12)18(25)23-13-6-7-14-15(10-13)28-21(27-14)8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,23,25)