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

Systemtic Name: 3-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-1-(2-chloroethyl)-1-nitroso-urea Openeye Name: 3-[4-(3-bromoanilino)quinazolin-6-yl]-1-(2-chloroethyl)-1-nitroso-urea CAS Name: 3-[4-(3-bromoanilino)-6-quinazolinyl]-1-(2-chloroethyl)-1-nitrosourea IUPAC Name: 3-[4-(3-bromoanilino)quinazolin-6-yl]-1-(2-chloroethyl)-1-nitrosourea Traditional Name: 3-[4-(3-bromoanilino)quinazolin-6-yl]-1-(2-chloroethyl)-1-nitroso-urea Formula: C17H14BrClN6O2 MolecularWeight: 449.68906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrClN6O2/c18-11-2-1-3-12(8-11)22-16-14-9-13(4-5-15(14)20-10-21-16)23-17(26)25(24-27)7-6-19/h1-5,8-10H,6-7H2,(H,23,26)(H,20,21,22)