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

Systemtic Name: 8-hex-3-yn-2-yl-2-[(4-pyrazol-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-(1-methylpent-2-ynyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one CAS Name: 8-hex-3-yn-2-yl-2-[4-(1-pyrazolyl)anilino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-hex-3-yn-2-yl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(1-methylpent-2-ynyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C)N1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCC#CC(C)N1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H20N6O/c1-3-4-6-16(2)28-20(29)12-7-17-15-23-22(26-21(17)28)25-18-8-10-19(11-9-18)27-14-5-13-24-27/h5,7-16H,3H2,1-2H3,(H,23,25,26)