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4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide

4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name:4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
Openeye Name:4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CAS Name:4-methyl-2-(methylthio)-6-(3-nitrophenyl)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide
IUPAC Name:4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
Traditional Name:4-methyl-2-(methylthio)-6-(3-nitrophenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
Formula: C22H22N4O3S
MolecularWeight: 422.50008
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])SC


Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])SC


InChI

InChI=1S/C22H22N4O3S/c1-15-19(21(27)23-13-7-10-16-8-4-3-5-9-16)20(25-22(24-15)30-2)17-11-6-12-18(14-17)26(28)29/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,23,27)


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