7-tert-butyl-2-[(4-methylphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 7-tert-butyl-2-[(4-methylphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 7-tert-butyl-2-[(4-methylbenzoyl)amino]-N-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 7-tert-butyl-2-[[(4-methylphenyl)-oxomethyl]amino]-N-(3-pyridinylmethyl)-5-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 7-tert-butyl-2-[(4-methylbenzoyl)amino]-N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 7-tert-butyl-2-(p-toluoylamino)-N-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC=C3C(=CN(C3=N2)C(C)(C)C)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC=C3C(=CN(C3=N2)C(C)(C)C)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H26N6O2/c1-16-7-9-18(10-8-16)22(32)30-24-28-14-19-20(15-31(21(19)29-24)25(2,3)4)23(33)27-13-17-6-5-11-26-12-17/h5-12,14-15H,13H2,1-4H3,(H,27,33)(H,28,29,30,32)