5-chloranyl-N-[(4-methoxyphenyl)methyl]-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(4-methoxyphenyl)methyl]-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-isopropylsulfanyl-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(4-methoxyphenyl)methyl]-2-propan-2-ylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(isopropylthio)-N-p-anisyl-pyrimidine-4-carboxamide Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)OC)Cl

InChI

InChI=1S/C16H18ClN3O2S/c1-10(2)23-16-19-9-13(17)14(20-16)15(21)18-8-11-4-6-12(22-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,18,21)