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

Systemtic Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-(4-methoxyphenyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-14-17-19(25-11-5-3-4-6-12-25)22-13-23-21(17)28-18(14)20(26)24-15-7-9-16(27-2)10-8-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,24,26)