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

Systemtic Name: 8-pent-4-yn-2-yl-2-[(4-pyrazol-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-(1-methylbut-3-ynyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one CAS Name: 8-pent-4-yn-2-yl-2-[4-(1-pyrazolyl)anilino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-pent-4-yn-2-yl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(1-methylbut-3-ynyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O/c1-3-5-15(2)27-19(28)11-6-16-14-22-21(25-20(16)27)24-17-7-9-18(10-8-17)26-13-4-12-23-26/h1,4,6-15H,5H2,2H3,(H,22,24,25)