2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-N-phenethyl-hexanamide

Systemtic Name: 2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-N-phenethyl-hexanamide Openeye Name: 2-(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanyl-N-phenethyl-hexanamide CAS Name: 2-[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]-N-phenethylhexanamide IUPAC Name: 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenethylhexanamide Traditional Name: 2-[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]-N-phenethyl-hexanamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=CC(=O)N2C)CC

Isomeric SMILES

CCCCC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=CC(=O)N2C)CC

InChI

InChI=1S/C21H29N3O2S/c1-4-6-12-18(20(26)22-14-13-16-10-8-7-9-11-16)27-21-23-17(5-2)15-19(25)24(21)3/h7-11,15,18H,4-6,12-14H2,1-3H3,(H,22,26)