azocan-1-yl-[5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]methanone

Systemtic Name: azocan-1-yl-[5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]methanone Openeye Name: azocan-1-yl-[5-methyl-4-(2-pyridylmethylamino)thieno[2,3-d]pyrimidin-6-yl]methanone CAS Name: 1-azocanyl-[5-methyl-4-(2-pyridinylmethylamino)-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: azocan-1-yl-[5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]methanone Traditional Name: azocan-1-yl-[5-methyl-4-(2-pyridylmethylamino)thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CC=N3)C(=O)N4CCCCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CC=N3)C(=O)N4CCCCCCC4

InChI

InChI=1S/C21H25N5OS/c1-15-17-19(23-13-16-9-5-6-10-22-16)24-14-25-20(17)28-18(15)21(27)26-11-7-3-2-4-8-12-26/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,23,24,25)