8-oct-1-yn-3-yl-2-[(4-piperidin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 8-oct-1-yn-3-yl-2-[(4-piperidin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-(1-ethynylhexyl)-2-[4-(1-piperidyl)anilino]pyrido[2,3-d]pyrimidin-7-one CAS Name: 8-oct-1-yn-3-yl-2-[4-(1-piperidinyl)anilino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-oct-1-yn-3-yl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(1-amylprop-2-ynyl)-2-(4-piperidinoanilino)pyrido[2,3-d]pyrimidin-7-one Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#C)N1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCCCCC(C#C)N1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C26H31N5O/c1-3-5-7-10-22(4-2)31-24(32)16-11-20-19-27-26(29-25(20)31)28-21-12-14-23(15-13-21)30-17-8-6-9-18-30/h2,11-16,19,22H,3,5-10,17-18H2,1H3,(H,27,28,29)