2-(3-imidazol-1-ylpropylamino)-N-(oxolan-2-ylmethyl)-4-(phenethylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-N-(oxolan-2-ylmethyl)-4-(phenethylamino)pyrimidine-5-carboxamide Openeye Name: 2-(3-imidazol-1-ylpropylamino)-4-(phenethylamino)-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-5-carboxamide CAS Name: 2-[3-(1-imidazolyl)propylamino]-N-(2-oxolanylmethyl)-4-(phenethylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-imidazol-1-ylpropylamino)-N-(oxolan-2-ylmethyl)-4-(phenethylamino)pyrimidine-5-carboxamide Traditional Name: 2-(3-imidazol-1-ylpropylamino)-4-(phenethylamino)-N-(tetrahydrofurfuryl)pyrimidine-5-carboxamide Formula: C24H31N7O2 MolecularWeight: 449.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CN=C(N=C2NCCC3=CC=CC=C3)NCCCN4C=CN=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CN=C(N=C2NCCC3=CC=CC=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C24H31N7O2/c32-23(28-16-20-8-4-15-33-20)21-17-29-24(27-10-5-13-31-14-12-25-18-31)30-22(21)26-11-9-19-6-2-1-3-7-19/h1-3,6-7,12,14,17-18,20H,4-5,8-11,13,15-16H2,(H,28,32)(H2,26,27,29,30)