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

Systemtic Name: 7-morpholin-4-yl-N-[4-[(4-phenoxyphenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide Openeye Name: 7-morpholino-N-[4-(4-phenoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide CAS Name: 7-(4-morpholinyl)-N-[4-(4-phenoxyanilino)-6-pyrido[3,4-d]pyrimidinyl]-2-heptynamide IUPAC Name: 7-morpholin-4-yl-N-[4-(4-phenoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide Traditional Name: 7-morpholino-N-[4-(4-phenoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide Formula: C30H30N6O3 MolecularWeight: 522.5976

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCCCC#CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H30N6O3/c37-29(10-6-1-2-7-15-36-16-18-38-19-17-36)35-28-20-26-27(21-31-28)32-22-33-30(26)34-23-11-13-25(14-12-23)39-24-8-4-3-5-9-24/h3-5,8-9,11-14,20-22H,1-2,7,15-19H2,(H,31,35,37)(H,32,33,34)