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

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

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

Isomeric SMILES

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

InChI

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