N-[(3-methoxyphenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-m-anisyl-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCC2=CC(=CC=C2)OC)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCC2=CC(=CC=C2)OC)SC

InChI

InChI=1S/C17H21N3O2S/c1-4-6-15-14(11-19-17(20-15)23-3)16(21)18-10-12-7-5-8-13(9-12)22-2/h5,7-9,11H,4,6,10H2,1-3H3,(H,18,21)