2-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)-4-(phenethylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)-4-(phenethylamino)pyrimidine-5-carboxamide Openeye Name: 2-[3-(dimethylamino)propylamino]-N-isobutyl-4-(phenethylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)-4-(phenethylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)-4-(phenethylamino)pyrimidine-5-carboxamide Traditional Name: 2-[3-(dimethylamino)propylamino]-N-isobutyl-4-(phenethylamino)pyrimidine-5-carboxamide Formula: C22H34N6O MolecularWeight: 398.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN=C(N=C1NCCC2=CC=CC=C2)NCCCN(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CN=C(N=C1NCCC2=CC=CC=C2)NCCCN(C)C

InChI

InChI=1S/C22H34N6O/c1-17(2)15-25-21(29)19-16-26-22(24-12-8-14-28(3)4)27-20(19)23-13-11-18-9-6-5-7-10-18/h5-7,9-10,16-17H,8,11-15H2,1-4H3,(H,25,29)(H2,23,24,26,27)