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

Systemtic Name: 4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-p-anisyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-15-18-20(26-11-5-3-4-6-12-26)24-14-25-22(18)29-19(15)21(27)23-13-16-7-9-17(28-2)10-8-16/h7-10,14H,3-6,11-13H2,1-2H3,(H,23,27)