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

Systemtic Name: N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-7-(dimethylamino)hept-2-ynamide Openeye Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-(dimethylamino)hept-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-pyrido[3,4-d]pyrimidinyl]-7-(dimethylamino)-2-heptynamide IUPAC Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-(dimethylamino)hept-2-ynamide Traditional Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-(dimethylamino)hept-2-ynamide Formula: C22H23BrN6O MolecularWeight: 467.36162

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCC#CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CN(C)CCCCC#CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H23BrN6O/c1-29(2)11-6-4-3-5-10-21(30)28-20-13-18-19(14-24-20)25-15-26-22(18)27-17-9-7-8-16(23)12-17/h7-9,12-15H,3-4,6,11H2,1-2H3,(H,24,28,30)(H,25,26,27)