ethyl 1-[5-[[4-(4-ethanoylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[[4-(4-ethanoylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[[4-(4-acetylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[[[4-(4-acetyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[[4-(4-acetylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furoyl]nipecotic acid ethyl ester Formula: C30H35N5O5S MolecularWeight: 577.6944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)N4CCN(CC4)C(=O)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)N4CCN(CC4)C(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C30H35N5O5S/c1-3-39-29(38)23-10-7-13-35(19-23)28(37)26-12-11-24(40-26)20-41-30-31-25(22-8-5-4-6-9-22)18-27(32-30)34-16-14-33(15-17-34)21(2)36/h4-6,8-9,11-12,18,23H,3,7,10,13-17,19-20H2,1-2H3