N-[2-[2-[[2-(dimethylamino)-3-phenyl-propyl]amino]-5-(4-fluorophenyl)-1-methyl-6-oxidanylidene-pyrimidin-4-yl]pyridin-3-yl]ethanamide

Systemtic Name: N-[2-[2-[[2-(dimethylamino)-3-phenyl-propyl]amino]-5-(4-fluorophenyl)-1-methyl-6-oxidanylidene-pyrimidin-4-yl]pyridin-3-yl]ethanamide Openeye Name: N-[2-[2-[[2-(dimethylamino)-3-phenyl-propyl]amino]-5-(4-fluorophenyl)-1-methyl-6-oxo-pyrimidin-4-yl]-3-pyridyl]acetamide CAS Name: N-[2-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyrimidinyl]-3-pyridinyl]acetamide IUPAC Name: N-[2-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-5-(4-fluorophenyl)-1-methyl-6-oxopyrimidin-4-yl]pyridin-3-yl]acetamide Traditional Name: N-[2-[2-[[2-(dimethylamino)-3-phenyl-propyl]amino]-5-(4-fluorophenyl)-6-keto-1-methyl-pyrimidin-4-yl]-3-pyridyl]acetamide Formula: C29H31FN6O2 MolecularWeight: 514.593843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=CC=C1)C2=C(C(=O)N(C(=N2)NCC(CC3=CC=CC=C3)N(C)C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=C(N=CC=C1)C2=C(C(=O)N(C(=N2)NCC(CC3=CC=CC=C3)N(C)C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31FN6O2/c1-19(37)33-24-11-8-16-31-26(24)27-25(21-12-14-22(30)15-13-21)28(38)36(4)29(34-27)32-18-23(35(2)3)17-20-9-6-5-7-10-20/h5-16,23H,17-18H2,1-4H3,(H,32,34)(H,33,37)