6-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O3S/c1-2-15-20(12-3-6-14(23)7-4-12)21(24)27-22(26-15)31-11-17(28)13-5-8-18-16(9-13)25-19(29)10-30-18/h3-9H,2,10-11H2,1H3,(H,25,29)(H2,24,26,27)