2-(3-methylphenyl)-N-(phenylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: 2-(3-methylphenyl)-N-(phenylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-(m-tolyl)-4-thiomorpholino-pyrimidine-5-carboxamide CAS Name: 2-(3-methylphenyl)-N-(phenylmethyl)-4-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-(3-methylphenyl)-4-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: N-benzyl-2-(m-tolyl)-4-thiomorpholino-pyrimidine-5-carboxamide Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C(=N2)N3CCSCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C(=N2)N3CCSCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-17-6-5-9-19(14-17)21-24-16-20(22(26-21)27-10-12-29-13-11-27)23(28)25-15-18-7-3-2-4-8-18/h2-9,14,16H,10-13,15H2,1H3,(H,25,28)