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

Systemtic Name: 4-(azepan-1-yl)-5-methyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-5-methyl-N-(3-pyridylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-5-methyl-N-(3-pyridinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-5-methyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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