N-[(2-ethoxyphenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(2-ethoxybenzyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2OCC)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2OCC)SC

InChI

InChI=1S/C18H23N3O2S/c1-4-8-15-14(12-20-18(21-15)24-3)17(22)19-11-13-9-6-7-10-16(13)23-5-2/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,22)