N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C19H16BrN5O2S MolecularWeight: 458.33164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C19H16BrN5O2S/c20-13-9-14(28-11-13)10-25-17(5-7-22-25)23-18(26)6-8-24-12-21-16-4-2-1-3-15(16)19(24)27/h1-5,7,9,11-12H,6,8,10H2,(H,23,26)