2-[1-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C2=NC(=O)C3=CC=CC=C3N2)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C2=NC(=O)C3=CC=CC=C3N2)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5OS/c1-3-16-18(13-8-10-14(23)11-9-13)19(24)27-22(26-16)30-12(2)20-25-17-7-5-4-6-15(17)21(29)28-20/h4-12H,3H2,1-2H3,(H2,24,26,27)(H,25,28,29)