[3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-methyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-(4-benzylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C28H33N5OS MolecularWeight: 487.65952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N5OS/c1-22-18-26(32-16-14-31(15-17-32)20-23-8-3-2-4-9-23)30-28(29-22)35-21-24-10-7-11-25(19-24)27(34)33-12-5-6-13-33/h2-4,7-11,18-19H,5-6,12-17,20-21H2,1H3