5-[[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]amino]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-[[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]amino]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)anilino]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-[4-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)anilino]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)anilino]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)anilino]-2-phenyl-3-pyrazolin-3-one Formula: C25H25N7O MolecularWeight: 439.5123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)NC4=CC(=O)N(N4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)NC4=CC(=O)N(N4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N7O/c1-25(2,3)31-14-19(22-23(26)27-15-28-24(22)31)16-9-11-17(12-10-16)29-20-13-21(33)32(30-20)18-7-5-4-6-8-18/h4-15,29-30H,1-3H3,(H2,26,27,28)