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

Systemtic Name: 4-(azocan-1-yl)-5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azocan-1-yl)-5-methyl-N-(4-pyridylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azocanyl)-5-methyl-N-(pyridin-4-ylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azocan-1-yl)-5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azocan-1-yl)-5-methyl-N-(4-pyridylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C21H25N5OS/c1-15-17-19(26-11-5-3-2-4-6-12-26)24-14-25-21(17)28-18(15)20(27)23-13-16-7-9-22-10-8-16/h7-10,14H,2-6,11-13H2,1H3,(H,23,27)