2-(4-phenylazanylquinazolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-phenylazanylquinazolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C24H23N7OS MolecularWeight: 457.55072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

InChI

InChI=1S/C24H23N7OS/c32-21(30-13-15-31(16-14-30)23-25-11-6-12-26-23)17-33-24-28-20-10-5-4-9-19(20)22(29-24)27-18-7-2-1-3-8-18/h1-12H,13-17H2,(H,27,28,29)