5-[[4-[methyl-(phenylmethyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[methyl-(phenylmethyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[benzyl(methyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[methyl-(phenylmethyl)amino]-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[benzyl(methyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[benzyl(methyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C24H21N3O3S/c1-27(15-17-8-4-2-5-9-17)22-14-20(18-10-6-3-7-11-18)25-24(26-22)31-16-19-12-13-21(30-19)23(28)29/h2-14H,15-16H2,1H3,(H,28,29)