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

Systemtic Name: 4-(azocan-1-yl)-N-(2,2-dimethyl-3-oxidanyl-propyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azocan-1-yl)-N-(3-hydroxy-2,2-dimethyl-propyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azocanyl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azocan-1-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azocan-1-yl)-N-(3-hydroxy-2,2-dimethyl-propyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H30N4O2S MolecularWeight: 390.5428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)NCC(C)(C)CO

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)NCC(C)(C)CO

InChI

InChI=1S/C20H30N4O2S/c1-14-15-17(24-9-7-5-4-6-8-10-24)22-13-23-19(15)27-16(14)18(26)21-11-20(2,3)12-25/h13,25H,4-12H2,1-3H3,(H,21,26)