3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyloxolan-2-one

Systemtic Name: 3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyloxolan-2-one Openeye Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyltetrahydrofuran-2-one CAS Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-2-oxolanone IUPAC Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyloxolan-2-one Traditional Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]tetrahydrofuran-2-one Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC2CCOC2=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC2CCOC2=O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN3O2S/c1-2-11-13(9-3-5-10(17)6-4-9)14(18)20-16(19-11)23-12-7-8-22-15(12)21/h3-6,12H,2,7-8H2,1H3,(H2,18,19,20)