2-[(2-azanyl-3-phenyl-propyl)amino]-5-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[(2-azanyl-3-phenyl-propyl)amino]-5-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[(2-amino-3-phenyl-propyl)amino]-5-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[(2-amino-3-phenylpropyl)amino]-5-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[(2-amino-3-phenylpropyl)amino]-5-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[(2-amino-3-phenyl-propyl)amino]-5-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C27H23F6N5O MolecularWeight: 547.494839

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)N)C3=CC=NC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)N)C3=CC=NC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H23F6N5O/c1-38-24(39)22(18-12-19(26(28,29)30)14-20(13-18)27(31,32)33)23(17-7-9-35-10-8-17)37-25(38)36-15-21(34)11-16-5-3-2-4-6-16/h2-10,12-14,21H,11,15,34H2,1H3,(H,36,37)