2-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-phenyl]-5-chloranyl-isoindole-1,3-dione

Systemtic Name: 2-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-phenyl]-5-chloranyl-isoindole-1,3-dione Openeye Name: 2-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-phenyl]-5-chloro-isoindoline-1,3-dione CAS Name: 2-[4-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-methylphenyl]-5-chloroisoindole-1,3-dione IUPAC Name: 2-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-methylphenyl]-5-chloroisoindole-1,3-dione Traditional Name: 2-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-phenyl]-5-chloro-isoindoline-1,3-quinone Formula: C25H22ClN5O2 MolecularWeight: 459.92748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C(C)(C)C)N4C(=O)C5=C(C4=O)C=C(C=C5)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C(C)(C)C)N4C(=O)C5=C(C4=O)C=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN5O2/c1-13-9-14(18-11-30(25(2,3)4)22-20(18)21(27)28-12-29-22)5-8-19(13)31-23(32)16-7-6-15(26)10-17(16)24(31)33/h5-12H,1-4H3,(H2,27,28,29)