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

Systemtic Name: 4-(azepan-1-yl)-N-(3,5-dimethoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-(3,5-dimethoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-(3,5-dimethoxyphenyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-(3,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(3,5-dimethoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C22H26N4O3S/c1-14-18-20(26-8-6-4-5-7-9-26)23-13-24-22(18)30-19(14)21(27)25-15-10-16(28-2)12-17(11-15)29-3/h10-13H,4-9H2,1-3H3,(H,25,27)