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

Systemtic Name: 6-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O3S/c1-3-16-20(13-4-7-15(24)8-5-13)22(25)28-23(27-16)32-12(2)21(30)14-6-9-18-17(10-14)26-19(29)11-31-18/h4-10,12H,3,11H2,1-2H3,(H,26,29)(H2,25,27,28)