N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-morpholin-4-yl-pent-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-morpholin-4-yl-pent-2-ynamide Openeye Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-morpholino-pent-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-pyrido[3,4-d]pyrimidinyl]-5-(4-morpholinyl)-2-pentynamide IUPAC Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-morpholin-4-ylpent-2-ynamide Traditional Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-morpholino-pent-2-ynamide Formula: C22H21BrN6O2 MolecularWeight: 481.34514

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H21BrN6O2/c23-16-4-3-5-17(12-16)27-22-18-13-20(24-14-19(18)25-15-26-22)28-21(30)6-1-2-7-29-8-10-31-11-9-29/h3-5,12-15H,2,7-11H2,(H,24,28,30)(H,25,26,27)