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

Systemtic Name: 4-(azepan-1-yl)-5-methyl-N-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-benzyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-5-methyl-N-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-benzyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-benzyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-15-17-19(25-11-7-2-3-8-12-25)23-14-24-21(17)27-18(15)20(26)22-13-16-9-5-4-6-10-16/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,22,26)