methyl N-[3-[4-[(3-bromophenyl)amino]quinazolin-6-yl]prop-2-ynyl]carbamate

Systemtic Name: methyl N-[3-[4-[(3-bromophenyl)amino]quinazolin-6-yl]prop-2-ynyl]carbamate Openeye Name: methyl N-[3-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-ynyl]carbamate CAS Name: N-[3-[4-(3-bromoanilino)-6-quinazolinyl]prop-2-ynyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-ynyl]carbamate Traditional Name: N-[3-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-ynyl]carbamic acid methyl ester Formula: C19H15BrN4O2 MolecularWeight: 411.252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)NCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H15BrN4O2/c1-26-19(25)21-9-3-4-13-7-8-17-16(10-13)18(23-12-22-17)24-15-6-2-5-14(20)11-15/h2,5-8,10-12H,9H2,1H3,(H,21,25)(H,22,23,24)