N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-6-morpholin-4-yl-hex-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-6-morpholin-4-yl-hex-2-ynamide Openeye Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-6-morpholino-hex-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-pyrido[3,4-d]pyrimidinyl]-6-(4-morpholinyl)-2-hexynamide IUPAC Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-6-morpholin-4-ylhex-2-ynamide Traditional Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-6-morpholino-hex-2-ynamide Formula: C23H23BrN6O2 MolecularWeight: 495.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H23BrN6O2/c24-17-5-4-6-18(13-17)28-23-19-14-21(25-15-20(19)26-16-27-23)29-22(31)7-2-1-3-8-30-9-11-32-12-10-30/h4-6,13-16H,1,3,8-12H2,(H,25,29,31)(H,26,27,28)