8-oct-1-yn-3-yl-2-phenylazanyl-pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 8-oct-1-yn-3-yl-2-phenylazanyl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-anilino-8-(1-ethynylhexyl)pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-anilino-8-oct-1-yn-3-yl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-anilino-8-oct-1-yn-3-ylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(1-amylprop-2-ynyl)-2-anilino-pyrido[2,3-d]pyrimidin-7-one Formula: C21H22N4O MolecularWeight: 346.42558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#C)N1C(=O)C=CC2=CN=C(N=C21)NC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C#C)N1C(=O)C=CC2=CN=C(N=C21)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O/c1-3-5-7-12-18(4-2)25-19(26)14-13-16-15-22-21(24-20(16)25)23-17-10-8-6-9-11-17/h2,6,8-11,13-15,18H,3,5,7,12H2,1H3,(H,22,23,24)