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

Systemtic Name: 4-(azepan-1-yl)-5-methyl-N-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-5-methyl-N-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-5-methyl-N-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-5-methyl-N-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-16-18-20(26-13-7-2-3-8-14-26)24-15-25-22(18)28-19(16)21(27)23-12-11-17-9-5-4-6-10-17/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,23,27)