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

Systemtic Name: 2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: 2-(m-tolyl)-N-(tetrahydrofuran-2-ylmethyl)-4-thiomorpholino-pyrimidine-5-carboxamide CAS Name: 2-(3-methylphenyl)-N-(2-oxolanylmethyl)-4-thiomorpholin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrimidine-5-carboxamide Traditional Name: 2-(m-tolyl)-N-(tetrahydrofurfuryl)-4-thiomorpholino-pyrimidine-5-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C(=N2)N3CCSCC3)C(=O)NCC4CCCO4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C(=N2)N3CCSCC3)C(=O)NCC4CCCO4

InChI

InChI=1S/C21H26N4O2S/c1-15-4-2-5-16(12-15)19-22-14-18(20(24-19)25-7-10-28-11-8-25)21(26)23-13-17-6-3-9-27-17/h2,4-5,12,14,17H,3,6-11,13H2,1H3,(H,23,26)