N-(phenylmethyl)-3-[6-propan-2-yl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide

Systemtic Name: N-(phenylmethyl)-3-[6-propan-2-yl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide Openeye Name: N-benzyl-3-[6-isopropyl-2-(propylamino)pyrimidin-4-yl]isoxazole-5-carboxamide CAS Name: N-(phenylmethyl)-3-[6-propan-2-yl-2-(propylamino)-4-pyrimidinyl]-5-isoxazolecarboxamide IUPAC Name: N-benzyl-3-[6-propan-2-yl-2-(propylamino)pyrimidin-4-yl]-1,2-oxazole-5-carboxamide Traditional Name: N-benzyl-3-[6-isopropyl-2-(propylamino)pyrimidin-4-yl]isoxazole-5-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=CC(=N1)C(C)C)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCNC1=NC(=CC(=N1)C(C)C)C2=NOC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2/c1-4-10-22-21-24-16(14(2)3)11-17(25-21)18-12-19(28-26-18)20(27)23-13-15-8-6-5-7-9-15/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,23,27)(H,22,24,25)