2-(3-imidazol-1-ylpropylamino)-4-(2-methylpropylamino)-N-phenethyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-4-(2-methylpropylamino)-N-phenethyl-pyrimidine-5-carboxamide Openeye Name: 2-(3-imidazol-1-ylpropylamino)-4-(isobutylamino)-N-phenethyl-pyrimidine-5-carboxamide CAS Name: 2-[3-(1-imidazolyl)propylamino]-4-(2-methylpropylamino)-N-phenethyl-5-pyrimidinecarboxamide IUPAC Name: 2-(3-imidazol-1-ylpropylamino)-4-(2-methylpropylamino)-N-phenethylpyrimidine-5-carboxamide Traditional Name: 2-(3-imidazol-1-ylpropylamino)-4-(isobutylamino)-N-phenethyl-pyrimidine-5-carboxamide Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC=CC=C2)NCCCN3C=CN=C3

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC=CC=C2)NCCCN3C=CN=C3

InChI

InChI=1S/C23H31N7O/c1-18(2)15-27-21-20(22(31)25-11-9-19-7-4-3-5-8-19)16-28-23(29-21)26-10-6-13-30-14-12-24-17-30/h3-5,7-8,12,14,16-18H,6,9-11,13,15H2,1-2H3,(H,25,31)(H2,26,27,28,29)