N-(3-azanylpropyl)-N-[1-[5-[3,4-bis(fluoranyl)phenyl]-4-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[5-[3,4-bis(fluoranyl)phenyl]-4-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-[1-benzyl-5-(3,4-difluorophenyl)-4-methyl-6-oxo-pyrimidin-2-yl]-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[5-(3,4-difluorophenyl)-4-methyl-6-oxo-1-(phenylmethyl)-2-pyrimidinyl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-[1-benzyl-5-(3,4-difluorophenyl)-4-methyl-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-[1-benzyl-5-(3,4-difluorophenyl)-6-keto-4-methyl-pyrimidin-2-yl]-2-methyl-propyl]-4-methyl-benzamide Formula: C33H36F2N4O2 MolecularWeight: 558.661346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC(=C(C(=O)N2CC3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC(=C(C(=O)N2CC3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C)C(C)C

InChI

InChI=1S/C33H36F2N4O2/c1-21(2)30(38(18-8-17-36)32(40)25-13-11-22(3)12-14-25)31-37-23(4)29(26-15-16-27(34)28(35)19-26)33(41)39(31)20-24-9-6-5-7-10-24/h5-7,9-16,19,21,30H,8,17-18,20,36H2,1-4H3