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

Systemtic Name: 4-(azocan-1-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azocan-1-yl)-5-methyl-N-[3-(4-pyridyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azocanyl)-5-methyl-N-(3-pyridin-4-ylpropyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azocan-1-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azocan-1-yl)-5-methyl-N-[3-(4-pyridyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)NCCCC4=CC=NC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)NCCCC4=CC=NC=C4

InChI

InChI=1S/C23H29N5OS/c1-17-19-21(28-14-5-3-2-4-6-15-28)26-16-27-23(19)30-20(17)22(29)25-11-7-8-18-9-12-24-13-10-18/h9-10,12-13,16H,2-8,11,14-15H2,1H3,(H,25,29)