2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

C=CCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H16ClN3O2S/c1-2-6-18-14(21)8-13-9-15(22)20-16(19-13)23-10-11-4-3-5-12(17)7-11/h2-5,7,9H,1,6,8,10H2,(H,18,21)(H,19,20,22)