N-[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionamide Formula: C17H20FN3O3S MolecularWeight: 365.422403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC(C)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)N[C@@H](C)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C17H20FN3O3S/c1-9(11-4-6-14(24-3)13(18)8-11)19-15(22)7-5-12-10(2)20-17(25)21-16(12)23/h4,6,8-9H,5,7H2,1-3H3,(H,19,22)(H2,20,21,23,25)/t9-/m0/s1