methyl 3-[[4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]amino]benzoic acid methyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC)C

InChI

InChI=1S/C26H28N4O3S/c1-17-18(2)27-26(29-23(17)30-13-4-5-14-30)34-16-19-9-11-20(12-10-19)24(31)28-22-8-6-7-21(15-22)25(32)33-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,31)