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

Systemtic Name: 4-(azepan-1-yl)-5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-5-methyl-N-(4-pyridylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-5-methyl-N-(pyridin-4-ylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-(4-pyridylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C20H23N5OS/c1-14-16-18(25-10-4-2-3-5-11-25)23-13-24-20(16)27-17(14)19(26)22-12-15-6-8-21-9-7-15/h6-9,13H,2-5,10-12H2,1H3,(H,22,26)