3-[phenethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[phenethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[phenethyl-[2-(2-thienyl)quinazolin-4-yl]amino]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[phenethyl-(2-thiophen-2-yl-4-quinazolinyl)amino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[phenethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[phenethyl-[2-(2-thienyl)quinazolin-4-yl]amino]-1-pyrrolidino-propan-1-one Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCN(CCC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(=O)CCN(CCC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H28N4OS/c32-25(30-16-6-7-17-30)15-19-31(18-14-21-9-2-1-3-10-21)27-22-11-4-5-12-23(22)28-26(29-27)24-13-8-20-33-24/h1-5,8-13,20H,6-7,14-19H2