N-[(3S,5R)-5-aminocarbonylpiperidin-3-yl]-2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

Systemtic Name: N-[(3S,5R)-5-aminocarbonylpiperidin-3-yl]-2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide Openeye Name: 2-tert-butyl-N-[(3S,5R)-5-carbamoyl-3-piperidyl]-4-(2-furylmethylamino)-N-isobutyl-pyrimidine-5-carboxamide CAS Name: 2-tert-butyl-N-[(3S,5R)-5-carbamoyl-3-piperidinyl]-4-(2-furanylmethylamino)-N-(2-methylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-N-[(3S,5R)-5-carbamoylpiperidin-3-yl]-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide Traditional Name: 2-tert-butyl-N-[(3S,5R)-5-carbamoyl-3-piperidyl]-4-(2-furfurylamino)-N-isobutyl-pyrimidine-5-carboxamide Formula: C24H36N6O3 MolecularWeight: 456.58104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CC(CNC1)C(=O)N)C(=O)C2=CN=C(N=C2NCC3=CC=CO3)C(C)(C)C

Isomeric SMILES

CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N)C(=O)C2=CN=C(N=C2NCC3=CC=CO3)C(C)(C)C

InChI

InChI=1S/C24H36N6O3/c1-15(2)14-30(17-9-16(20(25)31)10-26-11-17)22(32)19-13-28-23(24(3,4)5)29-21(19)27-12-18-7-6-8-33-18/h6-8,13,15-17,26H,9-12,14H2,1-5H3,(H2,25,31)(H,27,28,29)/t16-,17+/m1/s1