2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(1,3-benzodioxol-5-yl)ethanone

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-1-(1,3-benzodioxol-5-yl)ethanone Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCO3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCO3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-2-15-19(12-3-6-14(22)7-4-12)20(23)25-21(24-15)29-10-16(26)13-5-8-17-18(9-13)28-11-27-17/h3-9H,2,10-11H2,1H3,(H2,23,24,25)