(4-methylpiperazin-1-yl)-[5-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[5-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[5-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-2-furyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[5-[[[4-phenyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[5-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]methanone Traditional Name: (4-methylpiperazino)-[5-[[(4-phenyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furyl]methanone Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N5O2S/c1-28-13-15-30(16-14-28)24(31)22-10-9-20(32-22)18-33-25-26-21(19-7-3-2-4-8-19)17-23(27-25)29-11-5-6-12-29/h2-4,7-10,17H,5-6,11-16,18H2,1H3