2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-(phenylmethyl)-4-quinazolinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-1-pyrrolidino-ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-20(24-12-6-7-13-24)15-26-21-17-10-4-5-11-18(17)22-19(23-21)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2