4-[2-[5-azanyl-2-(3-methoxyphenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]-2,2-bis(fluoranyl)-3-oxidanylidene-5-phenyl-N-(phenylmethyl)pentanamide

Systemtic Name: 4-[2-[5-azanyl-2-(3-methoxyphenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]-2,2-bis(fluoranyl)-3-oxidanylidene-5-phenyl-N-(phenylmethyl)pentanamide Openeye Name: 4-[[2-[5-amino-2-(3-methoxyphenyl)-6-oxo-pyrimidin-1-yl]acetyl]amino]-N-benzyl-2,2-difluoro-3-oxo-5-phenyl-pentanamide CAS Name: 4-[[2-[5-amino-2-(3-methoxyphenyl)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]-2,2-difluoro-3-oxo-5-phenyl-N-(phenylmethyl)pentanamide IUPAC Name: 4-[[2-[5-amino-2-(3-methoxyphenyl)-6-oxopyrimidin-1-yl]acetyl]amino]-N-benzyl-2,2-difluoro-3-oxo-5-phenylpentanamide Traditional Name: 4-[[2-[5-amino-6-keto-2-(3-methoxyphenyl)pyrimidin-1-yl]acetyl]amino]-N-benzyl-2,2-difluoro-3-keto-5-phenyl-valeramide Formula: C31H29F2N5O5 MolecularWeight: 589.589266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC=C(C(=O)N2CC(=O)NC(CC3=CC=CC=C3)C(=O)C(C(=O)NCC4=CC=CC=C4)(F)F)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC=C(C(=O)N2CC(=O)NC(CC3=CC=CC=C3)C(=O)C(C(=O)NCC4=CC=CC=C4)(F)F)N

InChI

InChI=1S/C31H29F2N5O5/c1-43-23-14-8-13-22(16-23)28-35-18-24(34)29(41)38(28)19-26(39)37-25(15-20-9-4-2-5-10-20)27(40)31(32,33)30(42)36-17-21-11-6-3-7-12-21/h2-14,16,18,25H,15,17,19,34H2,1H3,(H,36,42)(H,37,39)