EGB

(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE


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Chemical Component Summary

Name(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE
Identifiers(4S)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
FormulaC16 H18 N2 O2 S
Molecular Weight302.391
TypeNON-POLYMER
Isomeric SMILESCC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C
InChIInChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,14,19H,7-8H2,1-2H3,(H2,17,18,21)/t14-/m0/s1
InChIKeyRUOOPLOUUAYNPY-AWEZNQCLSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count1
Bond Count41
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL1213955
PubChem 49863704
ChEMBL CHEMBL1213955