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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)OCC)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)OCC)SC

InChI

InChI=1S/C18H23N3O2S/c1-4-6-16-15(12-20-18(21-16)24-3)17(22)19-11-13-7-9-14(10-8-13)23-5-2/h7-10,12H,4-6,11H2,1-3H3,(H,19,22)