N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-tert-butyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H22BrN3O3S/c1-10-16-11(2)23-20(21(3,4)5)25-19(16)29-17(10)18(26)24-13-9-15-14(8-12(13)22)27-6-7-28-15/h8-9H,6-7H2,1-5H3,(H,24,26)