N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-7-morpholin-4-yl-hept-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-7-morpholin-4-yl-hept-2-ynamide Openeye Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-morpholino-hept-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-pyrido[3,4-d]pyrimidinyl]-7-(4-morpholinyl)-2-heptynamide IUPAC Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-morpholin-4-ylhept-2-ynamide Traditional Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-morpholino-hept-2-ynamide Formula: C24H25BrN6O2 MolecularWeight: 509.3983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCCCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H25BrN6O2/c25-18-6-5-7-19(14-18)29-24-20-15-22(26-16-21(20)27-17-28-24)30-23(32)8-3-1-2-4-9-31-10-12-33-13-11-31/h5-7,14-17H,1-2,4,9-13H2,(H,26,30,32)(H,27,28,29)