N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-3-(6-bromo-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-3-(6-bromo-4-keto-quinazolin-3-yl)propionamide Formula: C21H24BrN5O2S MolecularWeight: 490.41656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H24BrN5O2S/c22-15-5-6-18-17(11-15)20(29)27(14-23-18)10-7-19(28)25-21-24-16(13-30-21)12-26-8-3-1-2-4-9-26/h5-6,11,13-14H,1-4,7-10,12H2,(H,24,25,28)