1-[4-(5-phenyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(5-phenyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[5-phenyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(5-phenyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[5-phenyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C23H22N4OS2 MolecularWeight: 434.57698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4OS2/c1-16(28)26-10-6-11-27(13-12-26)22-20-18(17-7-3-2-4-8-17)15-30-23(20)25-21(24-22)19-9-5-14-29-19/h2-5,7-9,14-15H,6,10-13H2,1H3