N-(3-azanylpropyl)-3-fluoranyl-N-[1-[5-[(4-fluorophenyl)methyl]-3-methyl-4-oxidanylidene-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-2-methyl-propyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-3-fluoranyl-N-[1-[5-[(4-fluorophenyl)methyl]-3-methyl-4-oxidanylidene-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-3-fluoro-N-[1-[5-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl]-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-3-fluoro-N-[1-[5-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-6-isoxazolo[5,4-d]pyrimidinyl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-3-fluoro-N-[1-[5-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-2-methylpropyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-3-fluoro-N-[1-[5-(4-fluorobenzyl)-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl]-2-methyl-propyl]-4-methyl-benzamide Formula: C28H31F2N5O3 MolecularWeight: 523.574246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NO3)C)C(=O)N2CC4=CC=C(C=C4)F)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C(=NO3)C)C(=O)N2CC4=CC=C(C=C4)F)C(C)C)F

InChI

InChI=1S/C28H31F2N5O3/c1-16(2)24(34(13-5-12-31)27(36)20-9-6-17(3)22(30)14-20)25-32-26-23(18(4)33-38-26)28(37)35(25)15-19-7-10-21(29)11-8-19/h6-11,14,16,24H,5,12-13,15,31H2,1-4H3