2-(4-phenylazanylquinazolin-2-yl)sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-(4-phenylazanylquinazolin-2-yl)sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2S/c31-22(17-14-21(26-15-17)24(32)30-12-6-7-13-30)16-33-25-28-20-11-5-4-10-19(20)23(29-25)27-18-8-2-1-3-9-18/h1-5,8-11,14-15,26H,6-7,12-13,16H2,(H,27,28,29)