2-(4-tert-butylphenyl)-7-[[2-(methylamino)pyrimidin-4-yl]methylamino]-3H-isoindol-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-7-[[2-(methylamino)pyrimidin-4-yl]methylamino]-3H-isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-7-[[2-(methylamino)pyrimidin-4-yl]methylamino]isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-7-[[2-(methylamino)-4-pyrimidinyl]methylamino]-3H-isoindol-1-one IUPAC Name: 2-(4-tert-butylphenyl)-7-[[2-(methylamino)pyrimidin-4-yl]methylamino]-3H-isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-7-[[2-(methylamino)pyrimidin-4-yl]methylamino]isoindolin-1-one Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=NC(=NC=C4)NC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=NC(=NC=C4)NC

InChI

InChI=1S/C24H27N5O/c1-24(2,3)17-8-10-19(11-9-17)29-15-16-6-5-7-20(21(16)22(29)30)27-14-18-12-13-26-23(25-4)28-18/h5-13,27H,14-15H2,1-4H3,(H,25,26,28)