N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC4=C(C=C3)OCCCO4)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC4=C(C=C3)OCCCO4)C)C

InChI

InChI=1S/C20H21N3O3S/c1-4-16-21-12(3)17-11(2)18(27-20(17)23-16)19(24)22-13-6-7-14-15(10-13)26-9-5-8-25-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,22,24)