methyl 5-[[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-27-21(26)18-8-7-17(28-18)14-29-20-13-19(22-15-23-20)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3