N4-[(4-fluoranyl-3-methyl-phenyl)methyl]-N6-[(4-thiomorpholin-4-ylcarbonylphenyl)methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-[(4-fluoranyl-3-methyl-phenyl)methyl]-N6-[(4-thiomorpholin-4-ylcarbonylphenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-[(4-fluoro-3-methyl-phenyl)methyl]-N6-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-[(4-fluoro-3-methylphenyl)methyl]-N6-[[4-[oxo(thiomorpholin-4-yl)methyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-[(4-fluoro-3-methylphenyl)methyl]-6-N-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-N'-[4-(thiomorpholine-4-carbonyl)benzyl]pyrimidine-4,6-dicarboxamide Formula: C26H26FN5O3S MolecularWeight: 507.579743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCSCC4)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCSCC4)F

InChI

InChI=1S/C26H26FN5O3S/c1-17-12-19(4-7-21(17)27)15-29-25(34)23-13-22(30-16-31-23)24(33)28-14-18-2-5-20(6-3-18)26(35)32-8-10-36-11-9-32/h2-7,12-13,16H,8-11,14-15H2,1H3,(H,28,33)(H,29,34)