1-[4-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]hexan-1-one

Systemtic Name: 1-[4-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]hexan-1-one CAS Name: 1-[4-(5,6-dimethyl-2-phenethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-(5,6-dimethyl-2-phenethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperazino]hexan-1-one Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)CCC4=CC=CC=C4)C)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)CCC4=CC=CC=C4)C)C

InChI

InChI=1S/C26H34N4OS/c1-4-5-7-12-23(31)29-15-17-30(18-16-29)25-24-19(2)20(3)32-26(24)28-22(27-25)14-13-21-10-8-6-9-11-21/h6,8-11H,4-5,7,12-18H2,1-3H3