4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-1-methyl-pyrazol-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-1-methyl-pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-[2-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]-1-methyl-pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-[2-(1-methoxypropan-2-ylamino)-4-pyrimidinyl]-1-methyl-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-2-(2-methoxyethyl)-5-[2-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]-1-methyl-3-pyrazolin-3-one Formula: C21H26FN5O3 MolecularWeight: 415.461243

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C)CCOC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(COC)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C)CCOC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN5O3/c1-14(13-30-4)24-21-23-10-9-17(25-21)19-18(15-5-7-16(22)8-6-15)20(28)27(26(19)2)11-12-29-3/h5-10,14H,11-13H2,1-4H3,(H,23,24,25)