4-(azocan-1-yl)-N,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(azocan-1-yl)-N,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azocan-1-yl)-N-(isoxazol-3-ylmethyl)-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azocanyl)-N-(3-isoxazolylmethyl)-N,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azocan-1-yl)-N,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azocan-1-yl)-N-(isoxazol-3-ylmethyl)-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)N(C)CC4=NOC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)N(C)CC4=NOC=C4

InChI

InChI=1S/C20H25N5O2S/c1-14-16-18(25-9-6-4-3-5-7-10-25)21-13-22-19(16)28-17(14)20(26)24(2)12-15-8-11-27-23-15/h8,11,13H,3-7,9-10,12H2,1-2H3