7-imidazol-1-yl-N-[4-(1-phenylethylamino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide

Systemtic Name: 7-imidazol-1-yl-N-[4-(1-phenylethylamino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide Openeye Name: 7-imidazol-1-yl-N-[4-(1-phenylethylamino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide CAS Name: 7-(1-imidazolyl)-N-[4-(1-phenylethylamino)-6-pyrido[3,4-d]pyrimidinyl]-2-heptynamide IUPAC Name: 7-imidazol-1-yl-N-[4-(1-phenylethylamino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide Traditional Name: 7-imidazol-1-yl-N-[4-(1-phenylethylamino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-ynamide Formula: C25H25N7O MolecularWeight: 439.5123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=CN=C(C=C32)NC(=O)C#CCCCCN4C=CN=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CN=C(C=C32)NC(=O)C#CCCCCN4C=CN=C4

InChI

InChI=1S/C25H25N7O/c1-19(20-9-5-4-6-10-20)30-25-21-15-23(27-16-22(21)28-17-29-25)31-24(33)11-7-2-3-8-13-32-14-12-26-18-32/h4-6,9-10,12,14-19H,2-3,8,13H2,1H3,(H,27,31,33)(H,28,29,30)