1-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3-(2-chloroethyl)urea

Systemtic Name: 1-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3-(2-chloroethyl)urea Openeye Name: 1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(2-chloroethyl)urea CAS Name: 1-[4-(3-bromoanilino)-6-quinazolinyl]-3-(2-chloroethyl)urea IUPAC Name: 1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(2-chloroethyl)urea Traditional Name: 1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(2-chloroethyl)urea Formula: C17H15BrClN5O MolecularWeight: 420.6909

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)NCCCl

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)NCCCl

InChI

InChI=1S/C17H15BrClN5O/c18-11-2-1-3-12(8-11)23-16-14-9-13(24-17(25)20-7-6-19)4-5-15(14)21-10-22-16/h1-5,8-10H,6-7H2,(H2,20,24,25)(H,21,22,23)