2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)-4-phenylazanyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)-4-phenylazanyl-pyrimidine-5-carboxamide Openeye Name: 4-anilino-2-(3-imidazol-1-ylpropylamino)-N-isobutyl-pyrimidine-5-carboxamide CAS Name: 4-anilino-2-[3-(1-imidazolyl)propylamino]-N-(2-methylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-anilino-2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-anilino-2-(3-imidazol-1-ylpropylamino)-N-isobutyl-pyrimidine-5-carboxamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN=C(N=C1NC2=CC=CC=C2)NCCCN3C=CN=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CN=C(N=C1NC2=CC=CC=C2)NCCCN3C=CN=C3

InChI

InChI=1S/C21H27N7O/c1-16(2)13-24-20(29)18-14-25-21(23-9-6-11-28-12-10-22-15-28)27-19(18)26-17-7-4-3-5-8-17/h3-5,7-8,10,12,14-16H,6,9,11,13H2,1-2H3,(H,24,29)(H2,23,25,26,27)