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

Systemtic Name: 2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: 2-(m-tolyl)-N-(3-pyridylmethyl)-4-thiomorpholino-pyrimidine-5-carboxamide CAS Name: 2-(3-methylphenyl)-N-(3-pyridinylmethyl)-4-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: 2-(m-tolyl)-N-(3-pyridylmethyl)-4-thiomorpholino-pyrimidine-5-carboxamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5OS/c1-16-4-2-6-18(12-16)20-24-15-19(21(26-20)27-8-10-29-11-9-27)22(28)25-14-17-5-3-7-23-13-17/h2-7,12-13,15H,8-11,14H2,1H3,(H,25,28)