methyl 2-[3-[4-(5-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxylate

Systemtic Name: methyl 2-[3-[4-(5-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxylate Openeye Name: methyl 2-[3-[4-(5-fluoro-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxylate CAS Name: 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1-piperazinyl]propylamino]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxylate Traditional Name: 2-[3-[4-(5-fluoro-2-methoxy-phenyl)piperazino]propylamino]pyrimidine-4-carboxylic acid methyl ester Formula: C20H26FN5O3 MolecularWeight: 403.450543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)N2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)N2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)OC

InChI

InChI=1S/C20H26FN5O3/c1-28-18-5-4-15(21)14-17(18)26-12-10-25(11-13-26)9-3-7-22-20-23-8-6-16(24-20)19(27)29-2/h4-6,8,14H,3,7,9-13H2,1-2H3,(H,22,23,24)