1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-naphthylsulfanyl)ethanone CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-2-ylsulfanylethanone Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(2-naphthylthio)ethanone Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CSC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CSC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H25N5OS/c26-25-21-7-3-4-8-22(21)27-23(28-25)16-29-11-13-30(14-12-29)24(31)17-32-20-10-9-18-5-1-2-6-19(18)15-20/h1-10,15H,11-14,16-17H2,(H2,26,27,28)