[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-[2-(2-thienyl)-4-quinolyl]methanone Formula: C27H24N6OS MolecularWeight: 480.58406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C27H24N6OS/c28-26-19-7-2-4-9-22(19)30-25(31-26)17-32-11-13-33(14-12-32)27(34)20-16-23(24-10-5-15-35-24)29-21-8-3-1-6-18(20)21/h1-10,15-16H,11-14,17H2,(H2,28,30,31)