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

Systemtic Name: 4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-5-methyl-N-veratryl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-15-19-21(27-10-6-4-5-7-11-27)25-14-26-23(19)31-20(15)22(28)24-13-16-8-9-17(29-2)18(12-16)30-3/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,24,28)