4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]thiomorpholine

Systemtic Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]thiomorpholine Openeye Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]thiomorpholine CAS Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methyl]thiomorpholine IUPAC Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]thiomorpholine Traditional Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]thiomorpholine Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2CCSCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1CN2CCSCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-16-20(15-25-10-12-29-13-11-25)21(18-8-5-9-19(14-18)26(27)28)24-22(23-16)17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3