4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(thiomorpholin-4-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(thiomorpholin-4-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(thiomorpholinomethyl)pyrimidine-5-carboxamide CAS Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(thiomorpholin-4-ylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(thiomorpholin-4-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(thiomorpholinomethyl)pyrimidine-5-carboxamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCN2CCSCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCN2CCSCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3S/c1-16-20(23(29)24-15-27-10-12-32-13-11-27)21(18-8-5-9-19(14-18)28(30)31)26-22(25-16)17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,24,29)